Program PWSCF v.5.1.1 starts on 7Oct2015 at 13:18:33 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./KCN.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 27 14 4 742 288 48 Max 28 15 5 749 301 52 Sum 1317 709 219 35763 14127 2409 bravais-lattice index = 14 lattice parameter (alat) = 7.1477 a.u. unit-cell volume = 358.1211 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.147660 celldm(2)= 1.000000 celldm(3)= 0.985782 celldm(4)= 0.060008 celldm(5)= 0.060008 celldm(6)= 0.059143 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.059143 0.998250 0.000000 ) a(3) = ( 0.059155 0.055754 0.982425 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.059247 -0.056851 ) b(2) = ( 0.000000 1.001754 -0.056851 ) b(3) = ( 0.000000 0.000000 1.017890 ) PseudoPot. # 1 for K read from file: /home/autes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential K 9.00 39.09830 K( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 390 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 2) = ( 0.0086207 0.0081251 -0.0009802), wk = 0.0025641 k( 3) = ( 0.0172414 0.0162501 -0.0019604), wk = 0.0025641 k( 4) = ( 0.0258621 0.0243752 -0.0029405), wk = 0.0025641 k( 5) = ( 0.0344828 0.0325002 -0.0039207), wk = 0.0025641 k( 6) = ( 0.0431035 0.0406253 -0.0049009), wk = 0.0025641 k( 7) = ( 0.0517241 0.0487504 -0.0058811), wk = 0.0025641 k( 8) = ( 0.0603448 0.0568754 -0.0068613), wk = 0.0025641 k( 9) = ( 0.0689655 0.0650005 -0.0078415), wk = 0.0025641 k( 10) = ( 0.0775862 0.0731255 -0.0088216), wk = 0.0025641 k( 11) = ( 0.0862069 0.0812506 -0.0098018), wk = 0.0025641 k( 12) = ( 0.0948276 0.0893756 -0.0107820), wk = 0.0025641 k( 13) = ( 0.1034483 0.0975007 -0.0117622), wk = 0.0025641 k( 14) = ( 0.1120690 0.1056258 -0.0127424), wk = 0.0025641 k( 15) = ( 0.1206897 0.1137508 -0.0137225), wk = 0.0025641 k( 16) = ( 0.1293103 0.1218759 -0.0147027), wk = 0.0025641 k( 17) = ( 0.1379310 0.1300009 -0.0156829), wk = 0.0025641 k( 18) = ( 0.1465517 0.1381260 -0.0166631), wk = 0.0025641 k( 19) = ( 0.1551724 0.1462511 -0.0176433), wk = 0.0025641 k( 20) = ( 0.1637931 0.1543761 -0.0186234), wk = 0.0025641 k( 21) = ( 0.1724138 0.1625012 -0.0196036), wk = 0.0025641 k( 22) = ( 0.1810345 0.1706262 -0.0205838), wk = 0.0025641 k( 23) = ( 0.1896552 0.1787513 -0.0215640), wk = 0.0025641 k( 24) = ( 0.1982759 0.1868763 -0.0225442), wk = 0.0025641 k( 25) = ( 0.2068966 0.1950014 -0.0235243), wk = 0.0025641 k( 26) = ( 0.2155172 0.2031265 -0.0245045), wk = 0.0025641 k( 27) = ( 0.2241379 0.2112515 -0.0254847), wk = 0.0025641 k( 28) = ( 0.2327586 0.2193766 -0.0264649), wk = 0.0025641 k( 29) = ( 0.2413793 0.2275016 -0.0274451), wk = 0.0025641 k( 30) = ( 0.2500000 0.2356267 -0.0284253), wk = 0.0025641 k( 31) = ( 0.2586207 0.2437518 -0.0294054), wk = 0.0025641 k( 32) = ( 0.2672414 0.2518768 -0.0303856), wk = 0.0025641 k( 33) = ( 0.2758621 0.2600019 -0.0313658), wk = 0.0025641 k( 34) = ( 0.2844828 0.2681269 -0.0323460), wk = 0.0025641 k( 35) = ( 0.2931034 0.2762520 -0.0333262), wk = 0.0025641 k( 36) = ( 0.3017241 0.2843771 -0.0343063), wk = 0.0025641 k( 37) = ( 0.3103448 0.2925021 -0.0352865), wk = 0.0025641 k( 38) = ( 0.3189655 0.3006272 -0.0362667), wk = 0.0025641 k( 39) = ( 0.3275862 0.3087522 -0.0372469), wk = 0.0025641 k( 40) = ( 0.3362069 0.3168773 -0.0382271), wk = 0.0025641 k( 41) = ( 0.3448276 0.3250024 -0.0392072), wk = 0.0025641 k( 42) = ( 0.3534483 0.3331274 -0.0401874), wk = 0.0025641 k( 43) = ( 0.3620690 0.3412525 -0.0411676), wk = 0.0025641 k( 44) = ( 0.3706897 0.3493775 -0.0421478), wk = 0.0025641 k( 45) = ( 0.3793103 0.3575026 -0.0431280), wk = 0.0025641 k( 46) = ( 0.3879310 0.3656276 -0.0441082), wk = 0.0025641 k( 47) = ( 0.3965517 0.3737527 -0.0450883), wk = 0.0025641 k( 48) = ( 0.4051724 0.3818778 -0.0460685), wk = 0.0025641 k( 49) = ( 0.4137931 0.3900028 -0.0470487), wk = 0.0025641 k( 50) = ( 0.4224138 0.3981279 -0.0480289), wk = 0.0025641 k( 51) = ( 0.4310345 0.4062529 -0.0490091), wk = 0.0025641 k( 52) = ( 0.4396552 0.4143780 -0.0499892), wk = 0.0025641 k( 53) = ( 0.4482759 0.4225031 -0.0509694), wk = 0.0025641 k( 54) = ( 0.4568966 0.4306281 -0.0519496), wk = 0.0025641 k( 55) = ( 0.4655172 0.4387532 -0.0529298), wk = 0.0025641 k( 56) = ( 0.4741379 0.4468782 -0.0539100), wk = 0.0025641 k( 57) = ( 0.4827586 0.4550033 -0.0548901), wk = 0.0025641 k( 58) = ( 0.4913793 0.4631283 -0.0558703), wk = 0.0025641 k( 59) = ( 0.5000000 0.4712534 -0.0568505), wk = 0.0025641 k( 60) = ( 0.5000000 0.4712534 -0.0568505), wk = 0.0025641 k( 61) = ( 0.5007164 0.4719286 -0.0449533), wk = 0.0025641 k( 62) = ( 0.5014327 0.4726038 -0.0330561), wk = 0.0025641 k( 63) = ( 0.5021491 0.4732789 -0.0211588), wk = 0.0025641 k( 64) = ( 0.5028655 0.4739541 -0.0092616), wk = 0.0025641 k( 65) = ( 0.5035818 0.4746293 0.0026356), wk = 0.0025641 k( 66) = ( 0.5042982 0.4753045 0.0145328), wk = 0.0025641 k( 67) = ( 0.5050146 0.4759797 0.0264300), wk = 0.0025641 k( 68) = ( 0.5057309 0.4766548 0.0383273), wk = 0.0025641 k( 69) = ( 0.5064473 0.4773300 0.0502245), wk = 0.0025641 k( 70) = ( 0.5071636 0.4780052 0.0621217), wk = 0.0025641 k( 71) = ( 0.5078800 0.4786804 0.0740189), wk = 0.0025641 k( 72) = ( 0.5085964 0.4793556 0.0859162), wk = 0.0025641 k( 73) = ( 0.5093127 0.4800307 0.0978134), wk = 0.0025641 k( 74) = ( 0.5100291 0.4807059 0.1097106), wk = 0.0025641 k( 75) = ( 0.5107455 0.4813811 0.1216078), wk = 0.0025641 k( 76) = ( 0.5114618 0.4820563 0.1335050), wk = 0.0025641 k( 77) = ( 0.5121782 0.4827315 0.1454023), wk = 0.0025641 k( 78) = ( 0.5128946 0.4834066 0.1572995), wk = 0.0025641 k( 79) = ( 0.5136109 0.4840818 0.1691967), wk = 0.0025641 k( 80) = ( 0.5143273 0.4847570 0.1810939), wk = 0.0025641 k( 81) = ( 0.5150437 0.4854322 0.1929912), wk = 0.0025641 k( 82) = ( 0.5157600 0.4861074 0.2048884), wk = 0.0025641 k( 83) = ( 0.5164764 0.4867825 0.2167856), wk = 0.0025641 k( 84) = ( 0.5171928 0.4874577 0.2286828), wk = 0.0025641 k( 85) = ( 0.5179091 0.4881329 0.2405800), wk = 0.0025641 k( 86) = ( 0.5186255 0.4888081 0.2524773), wk = 0.0025641 k( 87) = ( 0.5193419 0.4894832 0.2643745), wk = 0.0025641 k( 88) = ( 0.5200582 0.4901584 0.2762717), wk = 0.0025641 k( 89) = ( 0.5207746 0.4908336 0.2881689), wk = 0.0025641 k( 90) = ( 0.5214910 0.4915088 0.3000662), wk = 0.0025641 k( 91) = ( 0.5222073 0.4921840 0.3119634), wk = 0.0025641 k( 92) = ( 0.5229237 0.4928591 0.3238606), wk = 0.0025641 k( 93) = ( 0.5236401 0.4935343 0.3357578), wk = 0.0025641 k( 94) = ( 0.5243564 0.4942095 0.3476550), wk = 0.0025641 k( 95) = ( 0.5250728 0.4948847 0.3595523), wk = 0.0025641 k( 96) = ( 0.5257892 0.4955599 0.3714495), wk = 0.0025641 k( 97) = ( 0.5265055 0.4962350 0.3833467), wk = 0.0025641 k( 98) = ( 0.5272219 0.4969102 0.3952439), wk = 0.0025641 k( 99) = ( 0.5272219 0.4969102 0.3952439), wk = 0.0025641 k( 100) = ( 0.5226849 0.4926341 0.4047190), wk = 0.0025641 k( 101) = ( 0.5181479 0.4883579 0.4141941), wk = 0.0025641 k( 102) = ( 0.5136109 0.4840818 0.4236692), wk = 0.0025641 k( 103) = ( 0.5090740 0.4798057 0.4331443), wk = 0.0025641 k( 104) = ( 0.5045370 0.4755295 0.4426194), wk = 0.0025641 k( 105) = ( 0.5000000 0.4712534 0.4520944), wk = 0.0025641 k( 106) = ( 0.5000000 0.4712534 0.4520944), wk = 0.0025641 k( 107) = ( 0.5076603 0.4631258 0.4520944), wk = 0.0025641 k( 108) = ( 0.5153207 0.4549982 0.4520944), wk = 0.0025641 k( 109) = ( 0.5229810 0.4468705 0.4520944), wk = 0.0025641 k( 110) = ( 0.5306414 0.4387429 0.4520944), wk = 0.0025641 k( 111) = ( 0.5383017 0.4306153 0.4520944), wk = 0.0025641 k( 112) = ( 0.5459620 0.4224877 0.4520944), wk = 0.0025641 k( 113) = ( 0.5536224 0.4143601 0.4520944), wk = 0.0025641 k( 114) = ( 0.4463776 -0.4736068 0.5089449), wk = 0.0025641 k( 115) = ( 0.4382617 -0.4649958 0.5089449), wk = 0.0025641 k( 116) = ( 0.4301457 -0.4563847 0.5089449), wk = 0.0025641 k( 117) = ( 0.4220298 -0.4477737 0.5089449), wk = 0.0025641 k( 118) = ( 0.4139138 -0.4391627 0.5089449), wk = 0.0025641 k( 119) = ( 0.4057979 -0.4305516 0.5089449), wk = 0.0025641 k( 120) = ( 0.3976819 -0.4219406 0.5089449), wk = 0.0025641 k( 121) = ( 0.3895659 -0.4133296 0.5089449), wk = 0.0025641 k( 122) = ( 0.3814500 -0.4047185 0.5089449), wk = 0.0025641 k( 123) = ( 0.3733340 -0.3961075 0.5089449), wk = 0.0025641 k( 124) = ( 0.3652181 -0.3874965 0.5089449), wk = 0.0025641 k( 125) = ( 0.3571021 -0.3788854 0.5089449), wk = 0.0025641 k( 126) = ( 0.3489861 -0.3702744 0.5089449), wk = 0.0025641 k( 127) = ( 0.3408702 -0.3616634 0.5089449), wk = 0.0025641 k( 128) = ( 0.3327542 -0.3530523 0.5089449), wk = 0.0025641 k( 129) = ( 0.3246383 -0.3444413 0.5089449), wk = 0.0025641 k( 130) = ( 0.3165223 -0.3358303 0.5089449), wk = 0.0025641 k( 131) = ( 0.3084064 -0.3272192 0.5089449), wk = 0.0025641 k( 132) = ( 0.3002904 -0.3186082 0.5089449), wk = 0.0025641 k( 133) = ( 0.2921744 -0.3099972 0.5089449), wk = 0.0025641 k( 134) = ( 0.2840585 -0.3013862 0.5089449), wk = 0.0025641 k( 135) = ( 0.2759425 -0.2927751 0.5089449), wk = 0.0025641 k( 136) = ( 0.2678266 -0.2841641 0.5089449), wk = 0.0025641 k( 137) = ( 0.2597106 -0.2755531 0.5089449), wk = 0.0025641 k( 138) = ( 0.2515947 -0.2669420 0.5089449), wk = 0.0025641 k( 139) = ( 0.2434787 -0.2583310 0.5089449), wk = 0.0025641 k( 140) = ( 0.2353628 -0.2497200 0.5089449), wk = 0.0025641 k( 141) = ( 0.2272468 -0.2411089 0.5089449), wk = 0.0025641 k( 142) = ( 0.2191308 -0.2324979 0.5089449), wk = 0.0025641 k( 143) = ( 0.2110149 -0.2238868 0.5089449), wk = 0.0025641 k( 144) = ( 0.2028989 -0.2152758 0.5089449), wk = 0.0025641 k( 145) = ( 0.1947830 -0.2066648 0.5089449), wk = 0.0025641 k( 146) = ( 0.1866670 -0.1980538 0.5089449), wk = 0.0025641 k( 147) = ( 0.1785511 -0.1894427 0.5089449), wk = 0.0025641 k( 148) = ( 0.1704351 -0.1808317 0.5089449), wk = 0.0025641 k( 149) = ( 0.1623191 -0.1722207 0.5089449), wk = 0.0025641 k( 150) = ( 0.1542032 -0.1636096 0.5089449), wk = 0.0025641 k( 151) = ( 0.1460872 -0.1549986 0.5089449), wk = 0.0025641 k( 152) = ( 0.1379713 -0.1463876 0.5089449), wk = 0.0025641 k( 153) = ( 0.1298553 -0.1377765 0.5089449), wk = 0.0025641 k( 154) = ( 0.1217394 -0.1291655 0.5089449), wk = 0.0025641 k( 155) = ( 0.1136234 -0.1205545 0.5089449), wk = 0.0025641 k( 156) = ( 0.1055074 -0.1119434 0.5089449), wk = 0.0025641 k( 157) = ( 0.0973915 -0.1033324 0.5089449), wk = 0.0025641 k( 158) = ( 0.0892755 -0.0947214 0.5089449), wk = 0.0025641 k( 159) = ( 0.0811596 -0.0861103 0.5089449), wk = 0.0025641 k( 160) = ( 0.0730436 -0.0774993 0.5089449), wk = 0.0025641 k( 161) = ( 0.0649277 -0.0688883 0.5089449), wk = 0.0025641 k( 162) = ( 0.0568117 -0.0602772 0.5089449), wk = 0.0025641 k( 163) = ( 0.0486957 -0.0516662 0.5089449), wk = 0.0025641 k( 164) = ( 0.0405798 -0.0430552 0.5089449), wk = 0.0025641 k( 165) = ( 0.0324638 -0.0344441 0.5089449), wk = 0.0025641 k( 166) = ( 0.0243479 -0.0258331 0.5089449), wk = 0.0025641 k( 167) = ( 0.0162319 -0.0172221 0.5089449), wk = 0.0025641 k( 168) = ( 0.0081160 -0.0086110 0.5089449), wk = 0.0025641 k( 169) = ( 0.0000000 0.0000000 0.5089449), wk = 0.0025641 k( 170) = ( 0.0000000 0.0000000 0.5089449), wk = 0.0025641 k( 171) = ( 0.0087551 0.0082518 0.5089449), wk = 0.0025641 k( 172) = ( 0.0175103 0.0165036 0.5089450), wk = 0.0025641 k( 173) = ( 0.0262654 0.0247554 0.5089449), wk = 0.0025641 k( 174) = ( 0.0350206 0.0330072 0.5089449), wk = 0.0025641 k( 175) = ( 0.0437758 0.0412589 0.5089450), wk = 0.0025641 k( 176) = ( 0.0525309 0.0495107 0.5089449), wk = 0.0025641 k( 177) = ( 0.0612861 0.0577625 0.5089450), wk = 0.0025641 k( 178) = ( 0.0700412 0.0660143 0.5089450), wk = 0.0025641 k( 179) = ( 0.0787964 0.0742661 0.5089449), wk = 0.0025641 k( 180) = ( 0.0875515 0.0825179 0.5089450), wk = 0.0025641 k( 181) = ( 0.0963066 0.0907697 0.5089449), wk = 0.0025641 k( 182) = ( 0.1050618 0.0990215 0.5089449), wk = 0.0025641 k( 183) = ( 0.1138170 0.1072733 0.5089450), wk = 0.0025641 k( 184) = ( 0.1225721 0.1155250 0.5089449), wk = 0.0025641 k( 185) = ( 0.1313273 0.1237768 0.5089450), wk = 0.0025641 k( 186) = ( 0.1400824 0.1320286 0.5089450), wk = 0.0025641 k( 187) = ( 0.1488376 0.1402804 0.5089449), wk = 0.0025641 k( 188) = ( 0.1575927 0.1485322 0.5089450), wk = 0.0025641 k( 189) = ( 0.1663479 0.1567840 0.5089449), wk = 0.0025641 k( 190) = ( 0.1751030 0.1650358 0.5089449), wk = 0.0025641 k( 191) = ( 0.1838582 0.1732876 0.5089450), wk = 0.0025641 k( 192) = ( 0.1926133 0.1815394 0.5089449), wk = 0.0025641 k( 193) = ( 0.2013685 0.1897911 0.5089449), wk = 0.0025641 k( 194) = ( 0.2101236 0.1980429 0.5089450), wk = 0.0025641 k( 195) = ( 0.2188788 0.2062947 0.5089449), wk = 0.0025641 k( 196) = ( 0.2276339 0.2145465 0.5089450), wk = 0.0025641 k( 197) = ( 0.2363891 0.2227983 0.5089449), wk = 0.0025641 k( 198) = ( 0.2451442 0.2310501 0.5089449), wk = 0.0025641 k( 199) = ( 0.2538994 0.2393019 0.5089450), wk = 0.0025641 k( 200) = ( 0.2626545 0.2475537 0.5089449), wk = 0.0025641 k( 201) = ( 0.2714097 0.2558055 0.5089449), wk = 0.0025641 k( 202) = ( 0.2801648 0.2640572 0.5089450), wk = 0.0025641 k( 203) = ( 0.2889200 0.2723090 0.5089449), wk = 0.0025641 k( 204) = ( 0.2976751 0.2805608 0.5089450), wk = 0.0025641 k( 205) = ( 0.3064303 0.2888126 0.5089450), wk = 0.0025641 k( 206) = ( 0.3151854 0.2970644 0.5089449), wk = 0.0025641 k( 207) = ( 0.3239406 0.3053162 0.5089450), wk = 0.0025641 k( 208) = ( 0.3326957 0.3135680 0.5089449), wk = 0.0025641 k( 209) = ( 0.3414509 0.3218198 0.5089449), wk = 0.0025641 k( 210) = ( 0.3502060 0.3300716 0.5089450), wk = 0.0025641 k( 211) = ( 0.3589612 0.3383233 0.5089449), wk = 0.0025641 k( 212) = ( 0.3677163 0.3465751 0.5089450), wk = 0.0025641 k( 213) = ( 0.3764715 0.3548269 0.5089450), wk = 0.0025641 k( 214) = ( 0.3852266 0.3630787 0.5089449), wk = 0.0025641 k( 215) = ( 0.3939818 0.3713305 0.5089450), wk = 0.0025641 k( 216) = ( 0.4027369 0.3795823 0.5089449), wk = 0.0025641 k( 217) = ( 0.4114921 0.3878341 0.5089449), wk = 0.0025641 k( 218) = ( 0.4202472 0.3960859 0.5089450), wk = 0.0025641 k( 219) = ( 0.4290024 0.4043377 0.5089449), wk = 0.0025641 k( 220) = ( 0.4377575 0.4125894 0.5089449), wk = 0.0025641 k( 221) = ( 0.4465127 0.4208412 0.5089450), wk = 0.0025641 k( 222) = ( 0.4552678 0.4290930 0.5089449), wk = 0.0025641 k( 223) = ( 0.4640230 0.4373448 0.5089450), wk = 0.0025641 k( 224) = ( 0.4727781 0.4455966 0.5089449), wk = 0.0025641 k( 225) = ( 0.5000000 0.4712534 -0.0568505), wk = 0.0025641 k( 226) = ( 0.5066000 0.4642509 -0.0568505), wk = 0.0025641 k( 227) = ( 0.5131999 0.4572483 -0.0568505), wk = 0.0025641 k( 228) = ( 0.5197999 0.4502457 -0.0568505), wk = 0.0025641 k( 229) = ( 0.5263998 0.4432432 -0.0568505), wk = 0.0025641 k( 230) = ( 0.4736002 -0.5024899 0.0000000), wk = 0.0025641 k( 231) = ( 0.4654347 -0.4938263 0.0000000), wk = 0.0025641 k( 232) = ( 0.4572692 -0.4851627 0.0000000), wk = 0.0025641 k( 233) = ( 0.4491036 -0.4764991 0.0000000), wk = 0.0025641 k( 234) = ( 0.4409381 -0.4678355 0.0000000), wk = 0.0025641 k( 235) = ( 0.4327726 -0.4591718 0.0000000), wk = 0.0025641 k( 236) = ( 0.4246071 -0.4505082 0.0000000), wk = 0.0025641 k( 237) = ( 0.4164415 -0.4418446 0.0000000), wk = 0.0025641 k( 238) = ( 0.4082760 -0.4331810 0.0000000), wk = 0.0025641 k( 239) = ( 0.4001105 -0.4245174 0.0000000), wk = 0.0025641 k( 240) = ( 0.3919450 -0.4158537 0.0000000), wk = 0.0025641 k( 241) = ( 0.3837795 -0.4071901 0.0000000), wk = 0.0025641 k( 242) = ( 0.3756139 -0.3985265 0.0000000), wk = 0.0025641 k( 243) = ( 0.3674484 -0.3898629 0.0000000), wk = 0.0025641 k( 244) = ( 0.3592829 -0.3811993 0.0000000), wk = 0.0025641 k( 245) = ( 0.3511174 -0.3725356 0.0000000), wk = 0.0025641 k( 246) = ( 0.3429519 -0.3638720 0.0000000), wk = 0.0025641 k( 247) = ( 0.3347863 -0.3552084 0.0000000), wk = 0.0025641 k( 248) = ( 0.3266208 -0.3465448 0.0000000), wk = 0.0025641 k( 249) = ( 0.3184553 -0.3378812 0.0000000), wk = 0.0025641 k( 250) = ( 0.3102898 -0.3292175 0.0000000), wk = 0.0025641 k( 251) = ( 0.3021243 -0.3205539 0.0000000), wk = 0.0025641 k( 252) = ( 0.2939587 -0.3118903 0.0000000), wk = 0.0025641 k( 253) = ( 0.2857932 -0.3032267 0.0000000), wk = 0.0025641 k( 254) = ( 0.2776277 -0.2945631 0.0000000), wk = 0.0025641 k( 255) = ( 0.2694622 -0.2858995 0.0000000), wk = 0.0025641 k( 256) = ( 0.2612967 -0.2772358 0.0000000), wk = 0.0025641 k( 257) = ( 0.2531311 -0.2685722 0.0000000), wk = 0.0025641 k( 258) = ( 0.2449656 -0.2599086 0.0000000), wk = 0.0025641 k( 259) = ( 0.2368001 -0.2512450 0.0000000), wk = 0.0025641 k( 260) = ( 0.2286346 -0.2425813 0.0000000), wk = 0.0025641 k( 261) = ( 0.2204690 -0.2339177 0.0000000), wk = 0.0025641 k( 262) = ( 0.2123035 -0.2252541 0.0000000), wk = 0.0025641 k( 263) = ( 0.2041380 -0.2165905 0.0000000), wk = 0.0025641 k( 264) = ( 0.1959725 -0.2079269 0.0000000), wk = 0.0025641 k( 265) = ( 0.1878070 -0.1992632 0.0000000), wk = 0.0025641 k( 266) = ( 0.1796415 -0.1905996 0.0000000), wk = 0.0025641 k( 267) = ( 0.1714759 -0.1819360 0.0000000), wk = 0.0025641 k( 268) = ( 0.1633104 -0.1732724 0.0000000), wk = 0.0025641 k( 269) = ( 0.1551449 -0.1646088 0.0000000), wk = 0.0025641 k( 270) = ( 0.1469794 -0.1559452 0.0000000), wk = 0.0025641 k( 271) = ( 0.1388138 -0.1472815 0.0000000), wk = 0.0025641 k( 272) = ( 0.1306483 -0.1386179 0.0000000), wk = 0.0025641 k( 273) = ( 0.1224828 -0.1299543 0.0000000), wk = 0.0025641 k( 274) = ( 0.1143173 -0.1212907 0.0000000), wk = 0.0025641 k( 275) = ( 0.1061518 -0.1126271 0.0000000), wk = 0.0025641 k( 276) = ( 0.0979862 -0.1039634 0.0000000), wk = 0.0025641 k( 277) = ( 0.0898207 -0.0952998 0.0000000), wk = 0.0025641 k( 278) = ( 0.0816552 -0.0866362 0.0000000), wk = 0.0025641 k( 279) = ( 0.0734897 -0.0779726 0.0000000), wk = 0.0025641 k( 280) = ( 0.0653242 -0.0693090 0.0000000), wk = 0.0025641 k( 281) = ( 0.0571586 -0.0606453 0.0000000), wk = 0.0025641 k( 282) = ( 0.0489931 -0.0519817 0.0000000), wk = 0.0025641 k( 283) = ( 0.0408276 -0.0433181 0.0000000), wk = 0.0025641 k( 284) = ( 0.0326621 -0.0346545 0.0000000), wk = 0.0025641 k( 285) = ( 0.0244966 -0.0259909 0.0000000), wk = 0.0025641 k( 286) = ( 0.0163310 -0.0173272 0.0000000), wk = 0.0025641 k( 287) = ( 0.0081655 -0.0086636 0.0000000), wk = 0.0025641 k( 288) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 289) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 290) = ( 0.0119048 -0.0007053 -0.0006768), wk = 0.0025641 k( 291) = ( 0.0238095 -0.0014106 -0.0013536), wk = 0.0025641 k( 292) = ( 0.0357143 -0.0021160 -0.0020304), wk = 0.0025641 k( 293) = ( 0.0476191 -0.0028213 -0.0027072), wk = 0.0025641 k( 294) = ( 0.0595238 -0.0035266 -0.0033840), wk = 0.0025641 k( 295) = ( 0.0714286 -0.0042319 -0.0040608), wk = 0.0025641 k( 296) = ( 0.0833333 -0.0049372 -0.0047375), wk = 0.0025641 k( 297) = ( 0.0952381 -0.0056425 -0.0054143), wk = 0.0025641 k( 298) = ( 0.1071429 -0.0063479 -0.0060911), wk = 0.0025641 k( 299) = ( 0.1190476 -0.0070532 -0.0067679), wk = 0.0025641 k( 300) = ( 0.1309524 -0.0077585 -0.0074447), wk = 0.0025641 k( 301) = ( 0.1428571 -0.0084638 -0.0081215), wk = 0.0025641 k( 302) = ( 0.1547619 -0.0091691 -0.0087983), wk = 0.0025641 k( 303) = ( 0.1666667 -0.0098745 -0.0094751), wk = 0.0025641 k( 304) = ( 0.1785714 -0.0105798 -0.0101519), wk = 0.0025641 k( 305) = ( 0.1904762 -0.0112851 -0.0108287), wk = 0.0025641 k( 306) = ( 0.2023810 -0.0119904 -0.0115055), wk = 0.0025641 k( 307) = ( 0.2142857 -0.0126957 -0.0121823), wk = 0.0025641 k( 308) = ( 0.2261905 -0.0134010 -0.0128590), wk = 0.0025641 k( 309) = ( 0.2380952 -0.0141064 -0.0135358), wk = 0.0025641 k( 310) = ( 0.2500000 -0.0148117 -0.0142126), wk = 0.0025641 k( 311) = ( 0.2619048 -0.0155170 -0.0148894), wk = 0.0025641 k( 312) = ( 0.2738095 -0.0162223 -0.0155662), wk = 0.0025641 k( 313) = ( 0.2857143 -0.0169276 -0.0162430), wk = 0.0025641 k( 314) = ( 0.2976190 -0.0176330 -0.0169198), wk = 0.0025641 k( 315) = ( 0.3095238 -0.0183383 -0.0175966), wk = 0.0025641 k( 316) = ( 0.3214286 -0.0190436 -0.0182734), wk = 0.0025641 k( 317) = ( 0.3333333 -0.0197489 -0.0189502), wk = 0.0025641 k( 318) = ( 0.3452381 -0.0204542 -0.0196270), wk = 0.0025641 k( 319) = ( 0.3571429 -0.0211595 -0.0203038), wk = 0.0025641 k( 320) = ( 0.3690476 -0.0218649 -0.0209805), wk = 0.0025641 k( 321) = ( 0.3809524 -0.0225702 -0.0216573), wk = 0.0025641 k( 322) = ( 0.3928571 -0.0232755 -0.0223341), wk = 0.0025641 k( 323) = ( 0.4047619 -0.0239808 -0.0230109), wk = 0.0025641 k( 324) = ( 0.4166667 -0.0246861 -0.0236877), wk = 0.0025641 k( 325) = ( 0.4285714 -0.0253915 -0.0243645), wk = 0.0025641 k( 326) = ( 0.4404762 -0.0260968 -0.0250413), wk = 0.0025641 k( 327) = ( 0.4523810 -0.0268021 -0.0257181), wk = 0.0025641 k( 328) = ( 0.4642857 -0.0275074 -0.0263949), wk = 0.0025641 k( 329) = ( 0.4761905 -0.0282127 -0.0270717), wk = 0.0025641 k( 330) = ( 0.4880952 -0.0289181 -0.0277485), wk = 0.0025641 k( 331) = ( 0.5000000 -0.0296234 -0.0284253), wk = 0.0025641 k( 332) = ( 0.5000000 -0.0296234 0.4805197), wk = 0.0025641 k( 333) = ( 0.4913793 -0.0291126 0.4722349), wk = 0.0025641 k( 334) = ( 0.4827586 -0.0286019 0.4639500), wk = 0.0025641 k( 335) = ( 0.4741379 -0.0280911 0.4556652), wk = 0.0025641 k( 336) = ( 0.4655172 -0.0275804 0.4473804), wk = 0.0025641 k( 337) = ( 0.4568966 -0.0270696 0.4390956), wk = 0.0025641 k( 338) = ( 0.4482759 -0.0265589 0.4308108), wk = 0.0025641 k( 339) = ( 0.4396552 -0.0260481 0.4225259), wk = 0.0025641 k( 340) = ( 0.4310345 -0.0255374 0.4142411), wk = 0.0025641 k( 341) = ( 0.4224138 -0.0250266 0.4059563), wk = 0.0025641 k( 342) = ( 0.4137931 -0.0245159 0.3976715), wk = 0.0025641 k( 343) = ( 0.4051724 -0.0240051 0.3893866), wk = 0.0025641 k( 344) = ( 0.3965517 -0.0234944 0.3811018), wk = 0.0025641 k( 345) = ( 0.3879310 -0.0229836 0.3728170), wk = 0.0025641 k( 346) = ( 0.3793103 -0.0224729 0.3645322), wk = 0.0025641 k( 347) = ( 0.3706897 -0.0219622 0.3562474), wk = 0.0025641 k( 348) = ( 0.3620690 -0.0214514 0.3479625), wk = 0.0025641 k( 349) = ( 0.3534483 -0.0209407 0.3396777), wk = 0.0025641 k( 350) = ( 0.3448276 -0.0204299 0.3313929), wk = 0.0025641 k( 351) = ( 0.3362069 -0.0199192 0.3231081), wk = 0.0025641 k( 352) = ( 0.3275862 -0.0194084 0.3148233), wk = 0.0025641 k( 353) = ( 0.3189655 -0.0188977 0.3065384), wk = 0.0025641 k( 354) = ( 0.3103448 -0.0183869 0.2982536), wk = 0.0025641 k( 355) = ( 0.3017241 -0.0178762 0.2899688), wk = 0.0025641 k( 356) = ( 0.2931034 -0.0173654 0.2816840), wk = 0.0025641 k( 357) = ( 0.2844828 -0.0168547 0.2733991), wk = 0.0025641 k( 358) = ( 0.2758621 -0.0163439 0.2651143), wk = 0.0025641 k( 359) = ( 0.2672414 -0.0158332 0.2568295), wk = 0.0025641 k( 360) = ( 0.2586207 -0.0153224 0.2485447), wk = 0.0025641 k( 361) = ( 0.2500000 -0.0148117 0.2402598), wk = 0.0025641 k( 362) = ( 0.2413793 -0.0143009 0.2319750), wk = 0.0025641 k( 363) = ( 0.2327586 -0.0137902 0.2236902), wk = 0.0025641 k( 364) = ( 0.2241379 -0.0132794 0.2154054), wk = 0.0025641 k( 365) = ( 0.2155172 -0.0127687 0.2071206), wk = 0.0025641 k( 366) = ( 0.2068966 -0.0122579 0.1988357), wk = 0.0025641 k( 367) = ( 0.1982759 -0.0117472 0.1905509), wk = 0.0025641 k( 368) = ( 0.1896552 -0.0112365 0.1822661), wk = 0.0025641 k( 369) = ( 0.1810345 -0.0107257 0.1739813), wk = 0.0025641 k( 370) = ( 0.1724138 -0.0102150 0.1656964), wk = 0.0025641 k( 371) = ( 0.1637931 -0.0097042 0.1574116), wk = 0.0025641 k( 372) = ( 0.1551724 -0.0091935 0.1491268), wk = 0.0025641 k( 373) = ( 0.1465517 -0.0086827 0.1408420), wk = 0.0025641 k( 374) = ( 0.1379310 -0.0081720 0.1325572), wk = 0.0025641 k( 375) = ( 0.1293103 -0.0076612 0.1242723), wk = 0.0025641 k( 376) = ( 0.1206897 -0.0071505 0.1159875), wk = 0.0025641 k( 377) = ( 0.1120690 -0.0066397 0.1077027), wk = 0.0025641 k( 378) = ( 0.1034483 -0.0061290 0.0994179), wk = 0.0025641 k( 379) = ( 0.0948276 -0.0056182 0.0911330), wk = 0.0025641 k( 380) = ( 0.0862069 -0.0051075 0.0828482), wk = 0.0025641 k( 381) = ( 0.0775862 -0.0045967 0.0745634), wk = 0.0025641 k( 382) = ( 0.0689655 -0.0040860 0.0662786), wk = 0.0025641 k( 383) = ( 0.0603448 -0.0035752 0.0579938), wk = 0.0025641 k( 384) = ( 0.0517241 -0.0030645 0.0497089), wk = 0.0025641 k( 385) = ( 0.0431035 -0.0025537 0.0414241), wk = 0.0025641 k( 386) = ( 0.0344828 -0.0020430 0.0331393), wk = 0.0025641 k( 387) = ( 0.0258621 -0.0015322 0.0248545), wk = 0.0025641 k( 388) = ( 0.0172414 -0.0010215 0.0165696), wk = 0.0025641 k( 389) = ( 0.0086207 -0.0005107 0.0082848), wk = 0.0025641 k( 390) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 2) = ( 0.0086207 0.0086207 0.0000000), wk = 0.0025641 k( 3) = ( 0.0172414 0.0172414 0.0000000), wk = 0.0025641 k( 4) = ( 0.0258621 0.0258621 0.0000000), wk = 0.0025641 k( 5) = ( 0.0344828 0.0344828 0.0000000), wk = 0.0025641 k( 6) = ( 0.0431035 0.0431035 0.0000000), wk = 0.0025641 k( 7) = ( 0.0517241 0.0517241 0.0000000), wk = 0.0025641 k( 8) = ( 0.0603448 0.0603448 0.0000000), wk = 0.0025641 k( 9) = ( 0.0689655 0.0689655 0.0000000), wk = 0.0025641 k( 10) = ( 0.0775862 0.0775862 -0.0000000), wk = 0.0025641 k( 11) = ( 0.0862069 0.0862069 0.0000000), wk = 0.0025641 k( 12) = ( 0.0948276 0.0948276 -0.0000000), wk = 0.0025641 k( 13) = ( 0.1034483 0.1034483 0.0000000), wk = 0.0025641 k( 14) = ( 0.1120690 0.1120690 -0.0000000), wk = 0.0025641 k( 15) = ( 0.1206897 0.1206897 0.0000000), wk = 0.0025641 k( 16) = ( 0.1293103 0.1293103 0.0000000), wk = 0.0025641 k( 17) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0025641 k( 18) = ( 0.1465517 0.1465517 0.0000000), wk = 0.0025641 k( 19) = ( 0.1551724 0.1551724 0.0000000), wk = 0.0025641 k( 20) = ( 0.1637931 0.1637931 0.0000000), wk = 0.0025641 k( 21) = ( 0.1724138 0.1724138 0.0000000), wk = 0.0025641 k( 22) = ( 0.1810345 0.1810345 0.0000000), wk = 0.0025641 k( 23) = ( 0.1896552 0.1896552 0.0000000), wk = 0.0025641 k( 24) = ( 0.1982759 0.1982759 0.0000000), wk = 0.0025641 k( 25) = ( 0.2068966 0.2068966 0.0000000), wk = 0.0025641 k( 26) = ( 0.2155172 0.2155172 0.0000000), wk = 0.0025641 k( 27) = ( 0.2241379 0.2241379 0.0000000), wk = 0.0025641 k( 28) = ( 0.2327586 0.2327586 0.0000000), wk = 0.0025641 k( 29) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0025641 k( 30) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0025641 k( 31) = ( 0.2586207 0.2586207 0.0000000), wk = 0.0025641 k( 32) = ( 0.2672414 0.2672414 -0.0000000), wk = 0.0025641 k( 33) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0025641 k( 34) = ( 0.2844828 0.2844828 -0.0000000), wk = 0.0025641 k( 35) = ( 0.2931034 0.2931034 0.0000000), wk = 0.0025641 k( 36) = ( 0.3017241 0.3017241 0.0000000), wk = 0.0025641 k( 37) = ( 0.3103448 0.3103448 0.0000000), wk = 0.0025641 k( 38) = ( 0.3189655 0.3189655 0.0000000), wk = 0.0025641 k( 39) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0025641 k( 40) = ( 0.3362069 0.3362069 0.0000000), wk = 0.0025641 k( 41) = ( 0.3448276 0.3448276 0.0000000), wk = 0.0025641 k( 42) = ( 0.3534483 0.3534483 0.0000000), wk = 0.0025641 k( 43) = ( 0.3620690 0.3620690 0.0000000), wk = 0.0025641 k( 44) = ( 0.3706897 0.3706897 0.0000000), wk = 0.0025641 k( 45) = ( 0.3793103 0.3793103 0.0000000), wk = 0.0025641 k( 46) = ( 0.3879310 0.3879310 0.0000000), wk = 0.0025641 k( 47) = ( 0.3965517 0.3965517 0.0000000), wk = 0.0025641 k( 48) = ( 0.4051724 0.4051724 -0.0000000), wk = 0.0025641 k( 49) = ( 0.4137931 0.4137931 0.0000000), wk = 0.0025641 k( 50) = ( 0.4224138 0.4224138 0.0000000), wk = 0.0025641 k( 51) = ( 0.4310345 0.4310345 0.0000000), wk = 0.0025641 k( 52) = ( 0.4396552 0.4396552 0.0000000), wk = 0.0025641 k( 53) = ( 0.4482759 0.4482759 0.0000000), wk = 0.0025641 k( 54) = ( 0.4568966 0.4568966 0.0000000), wk = 0.0025641 k( 55) = ( 0.4655172 0.4655172 0.0000000), wk = 0.0025641 k( 56) = ( 0.4741379 0.4741379 -0.0000000), wk = 0.0025641 k( 57) = ( 0.4827586 0.4827586 0.0000000), wk = 0.0025641 k( 58) = ( 0.4913793 0.4913793 -0.0000000), wk = 0.0025641 k( 59) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025641 k( 60) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025641 k( 61) = ( 0.5007164 0.5007164 0.0117681), wk = 0.0025641 k( 62) = ( 0.5014327 0.5014327 0.0235363), wk = 0.0025641 k( 63) = ( 0.5021491 0.5021491 0.0353044), wk = 0.0025641 k( 64) = ( 0.5028655 0.5028655 0.0470726), wk = 0.0025641 k( 65) = ( 0.5035818 0.5035818 0.0588407), wk = 0.0025641 k( 66) = ( 0.5042982 0.5042982 0.0706089), wk = 0.0025641 k( 67) = ( 0.5050146 0.5050146 0.0823770), wk = 0.0025641 k( 68) = ( 0.5057309 0.5057309 0.0941451), wk = 0.0025641 k( 69) = ( 0.5064473 0.5064473 0.1059133), wk = 0.0025641 k( 70) = ( 0.5071636 0.5071636 0.1176814), wk = 0.0025641 k( 71) = ( 0.5078800 0.5078800 0.1294496), wk = 0.0025641 k( 72) = ( 0.5085964 0.5085964 0.1412177), wk = 0.0025641 k( 73) = ( 0.5093127 0.5093127 0.1529859), wk = 0.0025641 k( 74) = ( 0.5100291 0.5100291 0.1647540), wk = 0.0025641 k( 75) = ( 0.5107455 0.5107455 0.1765221), wk = 0.0025641 k( 76) = ( 0.5114618 0.5114618 0.1882903), wk = 0.0025641 k( 77) = ( 0.5121782 0.5121782 0.2000584), wk = 0.0025641 k( 78) = ( 0.5128946 0.5128946 0.2118266), wk = 0.0025641 k( 79) = ( 0.5136109 0.5136109 0.2235947), wk = 0.0025641 k( 80) = ( 0.5143273 0.5143273 0.2353629), wk = 0.0025641 k( 81) = ( 0.5150437 0.5150437 0.2471310), wk = 0.0025641 k( 82) = ( 0.5157600 0.5157600 0.2588991), wk = 0.0025641 k( 83) = ( 0.5164764 0.5164764 0.2706673), wk = 0.0025641 k( 84) = ( 0.5171928 0.5171928 0.2824354), wk = 0.0025641 k( 85) = ( 0.5179091 0.5179091 0.2942036), wk = 0.0025641 k( 86) = ( 0.5186255 0.5186255 0.3059717), wk = 0.0025641 k( 87) = ( 0.5193419 0.5193419 0.3177398), wk = 0.0025641 k( 88) = ( 0.5200582 0.5200582 0.3295080), wk = 0.0025641 k( 89) = ( 0.5207746 0.5207746 0.3412761), wk = 0.0025641 k( 90) = ( 0.5214910 0.5214910 0.3530443), wk = 0.0025641 k( 91) = ( 0.5222073 0.5222073 0.3648124), wk = 0.0025641 k( 92) = ( 0.5229237 0.5229237 0.3765806), wk = 0.0025641 k( 93) = ( 0.5236401 0.5236401 0.3883487), wk = 0.0025641 k( 94) = ( 0.5243564 0.5243564 0.4001168), wk = 0.0025641 k( 95) = ( 0.5250728 0.5250728 0.4118850), wk = 0.0025641 k( 96) = ( 0.5257892 0.5257892 0.4236531), wk = 0.0025641 k( 97) = ( 0.5265055 0.5265055 0.4354213), wk = 0.0025641 k( 98) = ( 0.5272219 0.5272219 0.4471894), wk = 0.0025641 k( 99) = ( 0.5272219 0.5272219 0.4471894), wk = 0.0025641 k( 100) = ( 0.5226849 0.5226849 0.4559912), wk = 0.0025641 k( 101) = ( 0.5181479 0.5181479 0.4647929), wk = 0.0025641 k( 102) = ( 0.5136109 0.5136109 0.4735947), wk = 0.0025641 k( 103) = ( 0.5090740 0.5090740 0.4823965), wk = 0.0025641 k( 104) = ( 0.5045370 0.5045370 0.4911982), wk = 0.0025641 k( 105) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025641 k( 106) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025641 k( 107) = ( 0.5076603 0.4923397 0.5000000), wk = 0.0025641 k( 108) = ( 0.5153207 0.4846793 0.5000000), wk = 0.0025641 k( 109) = ( 0.5229810 0.4770190 0.5000000), wk = 0.0025641 k( 110) = ( 0.5306414 0.4693586 0.5000000), wk = 0.0025641 k( 111) = ( 0.5383017 0.4616983 0.5000000), wk = 0.0025641 k( 112) = ( 0.5459620 0.4540380 0.5000000), wk = 0.0025641 k( 113) = ( 0.5536224 0.4463776 0.5000000), wk = 0.0025641 k( 114) = ( 0.4463776 -0.4463776 0.5000000), wk = 0.0025641 k( 115) = ( 0.4382617 -0.4382617 0.5000000), wk = 0.0025641 k( 116) = ( 0.4301457 -0.4301457 0.5000000), wk = 0.0025641 k( 117) = ( 0.4220298 -0.4220298 0.5000000), wk = 0.0025641 k( 118) = ( 0.4139138 -0.4139138 0.5000000), wk = 0.0025641 k( 119) = ( 0.4057979 -0.4057979 0.5000000), wk = 0.0025641 k( 120) = ( 0.3976819 -0.3976819 0.5000000), wk = 0.0025641 k( 121) = ( 0.3895659 -0.3895659 0.5000000), wk = 0.0025641 k( 122) = ( 0.3814500 -0.3814500 0.5000000), wk = 0.0025641 k( 123) = ( 0.3733340 -0.3733340 0.5000000), wk = 0.0025641 k( 124) = ( 0.3652181 -0.3652181 0.5000000), wk = 0.0025641 k( 125) = ( 0.3571021 -0.3571021 0.5000000), wk = 0.0025641 k( 126) = ( 0.3489861 -0.3489861 0.5000000), wk = 0.0025641 k( 127) = ( 0.3408702 -0.3408702 0.5000000), wk = 0.0025641 k( 128) = ( 0.3327542 -0.3327542 0.5000000), wk = 0.0025641 k( 129) = ( 0.3246383 -0.3246383 0.5000000), wk = 0.0025641 k( 130) = ( 0.3165223 -0.3165223 0.5000000), wk = 0.0025641 k( 131) = ( 0.3084064 -0.3084064 0.5000000), wk = 0.0025641 k( 132) = ( 0.3002904 -0.3002904 0.5000000), wk = 0.0025641 k( 133) = ( 0.2921744 -0.2921744 0.5000000), wk = 0.0025641 k( 134) = ( 0.2840585 -0.2840585 0.5000000), wk = 0.0025641 k( 135) = ( 0.2759425 -0.2759425 0.5000000), wk = 0.0025641 k( 136) = ( 0.2678266 -0.2678266 0.5000000), wk = 0.0025641 k( 137) = ( 0.2597106 -0.2597106 0.5000000), wk = 0.0025641 k( 138) = ( 0.2515947 -0.2515947 0.5000000), wk = 0.0025641 k( 139) = ( 0.2434787 -0.2434787 0.5000000), wk = 0.0025641 k( 140) = ( 0.2353628 -0.2353628 0.5000000), wk = 0.0025641 k( 141) = ( 0.2272468 -0.2272468 0.5000000), wk = 0.0025641 k( 142) = ( 0.2191308 -0.2191308 0.5000000), wk = 0.0025641 k( 143) = ( 0.2110149 -0.2110149 0.5000000), wk = 0.0025641 k( 144) = ( 0.2028989 -0.2028989 0.5000000), wk = 0.0025641 k( 145) = ( 0.1947830 -0.1947830 0.5000000), wk = 0.0025641 k( 146) = ( 0.1866670 -0.1866670 0.5000000), wk = 0.0025641 k( 147) = ( 0.1785511 -0.1785511 0.5000000), wk = 0.0025641 k( 148) = ( 0.1704351 -0.1704351 0.5000000), wk = 0.0025641 k( 149) = ( 0.1623191 -0.1623191 0.5000000), wk = 0.0025641 k( 150) = ( 0.1542032 -0.1542032 0.5000000), wk = 0.0025641 k( 151) = ( 0.1460872 -0.1460872 0.5000000), wk = 0.0025641 k( 152) = ( 0.1379713 -0.1379713 0.5000000), wk = 0.0025641 k( 153) = ( 0.1298553 -0.1298553 0.5000000), wk = 0.0025641 k( 154) = ( 0.1217394 -0.1217394 0.5000000), wk = 0.0025641 k( 155) = ( 0.1136234 -0.1136234 0.5000000), wk = 0.0025641 k( 156) = ( 0.1055074 -0.1055074 0.5000000), wk = 0.0025641 k( 157) = ( 0.0973915 -0.0973915 0.5000000), wk = 0.0025641 k( 158) = ( 0.0892755 -0.0892755 0.5000000), wk = 0.0025641 k( 159) = ( 0.0811596 -0.0811596 0.5000000), wk = 0.0025641 k( 160) = ( 0.0730436 -0.0730436 0.5000000), wk = 0.0025641 k( 161) = ( 0.0649277 -0.0649277 0.5000000), wk = 0.0025641 k( 162) = ( 0.0568117 -0.0568117 0.5000000), wk = 0.0025641 k( 163) = ( 0.0486957 -0.0486957 0.5000000), wk = 0.0025641 k( 164) = ( 0.0405798 -0.0405798 0.5000000), wk = 0.0025641 k( 165) = ( 0.0324638 -0.0324638 0.5000000), wk = 0.0025641 k( 166) = ( 0.0243479 -0.0243479 0.5000000), wk = 0.0025641 k( 167) = ( 0.0162319 -0.0162319 0.5000000), wk = 0.0025641 k( 168) = ( 0.0081160 -0.0081160 0.5000000), wk = 0.0025641 k( 169) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025641 k( 170) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025641 k( 171) = ( 0.0087551 0.0087551 0.5009780), wk = 0.0025641 k( 172) = ( 0.0175103 0.0175103 0.5019560), wk = 0.0025641 k( 173) = ( 0.0262654 0.0262654 0.5029339), wk = 0.0025641 k( 174) = ( 0.0350206 0.0350206 0.5039119), wk = 0.0025641 k( 175) = ( 0.0437758 0.0437758 0.5048899), wk = 0.0025641 k( 176) = ( 0.0525309 0.0525309 0.5058678), wk = 0.0025641 k( 177) = ( 0.0612861 0.0612861 0.5068458), wk = 0.0025641 k( 178) = ( 0.0700412 0.0700412 0.5078238), wk = 0.0025641 k( 179) = ( 0.0787964 0.0787964 0.5088018), wk = 0.0025641 k( 180) = ( 0.0875515 0.0875515 0.5097797), wk = 0.0025641 k( 181) = ( 0.0963066 0.0963067 0.5107577), wk = 0.0025641 k( 182) = ( 0.1050618 0.1050618 0.5117357), wk = 0.0025641 k( 183) = ( 0.1138170 0.1138170 0.5127137), wk = 0.0025641 k( 184) = ( 0.1225721 0.1225721 0.5136916), wk = 0.0025641 k( 185) = ( 0.1313273 0.1313273 0.5146696), wk = 0.0025641 k( 186) = ( 0.1400824 0.1400824 0.5156476), wk = 0.0025641 k( 187) = ( 0.1488376 0.1488376 0.5166256), wk = 0.0025641 k( 188) = ( 0.1575927 0.1575927 0.5176035), wk = 0.0025641 k( 189) = ( 0.1663479 0.1663479 0.5185815), wk = 0.0025641 k( 190) = ( 0.1751030 0.1751030 0.5195595), wk = 0.0025641 k( 191) = ( 0.1838582 0.1838582 0.5205374), wk = 0.0025641 k( 192) = ( 0.1926133 0.1926133 0.5215154), wk = 0.0025641 k( 193) = ( 0.2013685 0.2013685 0.5224934), wk = 0.0025641 k( 194) = ( 0.2101236 0.2101236 0.5234714), wk = 0.0025641 k( 195) = ( 0.2188788 0.2188788 0.5244493), wk = 0.0025641 k( 196) = ( 0.2276339 0.2276339 0.5254273), wk = 0.0025641 k( 197) = ( 0.2363891 0.2363891 0.5264053), wk = 0.0025641 k( 198) = ( 0.2451442 0.2451442 0.5273833), wk = 0.0025641 k( 199) = ( 0.2538994 0.2538994 0.5283612), wk = 0.0025641 k( 200) = ( 0.2626545 0.2626545 0.5293392), wk = 0.0025641 k( 201) = ( 0.2714097 0.2714097 0.5303172), wk = 0.0025641 k( 202) = ( 0.2801648 0.2801648 0.5312952), wk = 0.0025641 k( 203) = ( 0.2889200 0.2889200 0.5322731), wk = 0.0025641 k( 204) = ( 0.2976751 0.2976751 0.5332511), wk = 0.0025641 k( 205) = ( 0.3064303 0.3064303 0.5342291), wk = 0.0025641 k( 206) = ( 0.3151854 0.3151854 0.5352071), wk = 0.0025641 k( 207) = ( 0.3239406 0.3239406 0.5361850), wk = 0.0025641 k( 208) = ( 0.3326957 0.3326957 0.5371630), wk = 0.0025641 k( 209) = ( 0.3414509 0.3414509 0.5381410), wk = 0.0025641 k( 210) = ( 0.3502060 0.3502060 0.5391190), wk = 0.0025641 k( 211) = ( 0.3589612 0.3589612 0.5400969), wk = 0.0025641 k( 212) = ( 0.3677163 0.3677163 0.5410749), wk = 0.0025641 k( 213) = ( 0.3764715 0.3764715 0.5420529), wk = 0.0025641 k( 214) = ( 0.3852266 0.3852266 0.5430308), wk = 0.0025641 k( 215) = ( 0.3939818 0.3939818 0.5440088), wk = 0.0025641 k( 216) = ( 0.4027369 0.4027369 0.5449868), wk = 0.0025641 k( 217) = ( 0.4114921 0.4114921 0.5459648), wk = 0.0025641 k( 218) = ( 0.4202472 0.4202472 0.5469427), wk = 0.0025641 k( 219) = ( 0.4290024 0.4290024 0.5479207), wk = 0.0025641 k( 220) = ( 0.4377575 0.4377575 0.5488987), wk = 0.0025641 k( 221) = ( 0.4465127 0.4465127 0.5498767), wk = 0.0025641 k( 222) = ( 0.4552678 0.4552678 0.5508546), wk = 0.0025641 k( 223) = ( 0.4640230 0.4640230 0.5518326), wk = 0.0025641 k( 224) = ( 0.4727781 0.4727781 0.5528106), wk = 0.0025641 k( 225) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025641 k( 226) = ( 0.5066000 0.4934001 0.0000000), wk = 0.0025641 k( 227) = ( 0.5131999 0.4868001 0.0000000), wk = 0.0025641 k( 228) = ( 0.5197999 0.4802001 0.0000000), wk = 0.0025641 k( 229) = ( 0.5263998 0.4736002 0.0000000), wk = 0.0025641 k( 230) = ( 0.4736002 -0.4736002 0.0000000), wk = 0.0025641 k( 231) = ( 0.4654347 -0.4654347 0.0000000), wk = 0.0025641 k( 232) = ( 0.4572692 -0.4572692 -0.0000000), wk = 0.0025641 k( 233) = ( 0.4491036 -0.4491036 0.0000000), wk = 0.0025641 k( 234) = ( 0.4409381 -0.4409381 -0.0000000), wk = 0.0025641 k( 235) = ( 0.4327726 -0.4327726 0.0000000), wk = 0.0025641 k( 236) = ( 0.4246071 -0.4246071 0.0000000), wk = 0.0025641 k( 237) = ( 0.4164415 -0.4164415 0.0000000), wk = 0.0025641 k( 238) = ( 0.4082760 -0.4082760 0.0000000), wk = 0.0025641 k( 239) = ( 0.4001105 -0.4001105 0.0000000), wk = 0.0025641 k( 240) = ( 0.3919450 -0.3919450 0.0000000), wk = 0.0025641 k( 241) = ( 0.3837795 -0.3837795 0.0000000), wk = 0.0025641 k( 242) = ( 0.3756139 -0.3756139 0.0000000), wk = 0.0025641 k( 243) = ( 0.3674484 -0.3674484 0.0000000), wk = 0.0025641 k( 244) = ( 0.3592829 -0.3592829 0.0000000), wk = 0.0025641 k( 245) = ( 0.3511174 -0.3511174 -0.0000000), wk = 0.0025641 k( 246) = ( 0.3429519 -0.3429519 -0.0000000), wk = 0.0025641 k( 247) = ( 0.3347863 -0.3347863 0.0000000), wk = 0.0025641 k( 248) = ( 0.3266208 -0.3266208 0.0000000), wk = 0.0025641 k( 249) = ( 0.3184553 -0.3184553 0.0000000), wk = 0.0025641 k( 250) = ( 0.3102898 -0.3102898 0.0000000), wk = 0.0025641 k( 251) = ( 0.3021243 -0.3021243 0.0000000), wk = 0.0025641 k( 252) = ( 0.2939587 -0.2939587 -0.0000000), wk = 0.0025641 k( 253) = ( 0.2857932 -0.2857932 0.0000000), wk = 0.0025641 k( 254) = ( 0.2776277 -0.2776277 0.0000000), wk = 0.0025641 k( 255) = ( 0.2694622 -0.2694622 0.0000000), wk = 0.0025641 k( 256) = ( 0.2612967 -0.2612967 -0.0000000), wk = 0.0025641 k( 257) = ( 0.2531311 -0.2531311 0.0000000), wk = 0.0025641 k( 258) = ( 0.2449656 -0.2449656 0.0000000), wk = 0.0025641 k( 259) = ( 0.2368001 -0.2368001 0.0000000), wk = 0.0025641 k( 260) = ( 0.2286346 -0.2286346 0.0000000), wk = 0.0025641 k( 261) = ( 0.2204690 -0.2204690 0.0000000), wk = 0.0025641 k( 262) = ( 0.2123035 -0.2123035 0.0000000), wk = 0.0025641 k( 263) = ( 0.2041380 -0.2041380 0.0000000), wk = 0.0025641 k( 264) = ( 0.1959725 -0.1959725 0.0000000), wk = 0.0025641 k( 265) = ( 0.1878070 -0.1878070 0.0000000), wk = 0.0025641 k( 266) = ( 0.1796415 -0.1796415 0.0000000), wk = 0.0025641 k( 267) = ( 0.1714759 -0.1714759 -0.0000000), wk = 0.0025641 k( 268) = ( 0.1633104 -0.1633104 0.0000000), wk = 0.0025641 k( 269) = ( 0.1551449 -0.1551449 0.0000000), wk = 0.0025641 k( 270) = ( 0.1469794 -0.1469794 -0.0000000), wk = 0.0025641 k( 271) = ( 0.1388138 -0.1388138 0.0000000), wk = 0.0025641 k( 272) = ( 0.1306483 -0.1306483 -0.0000000), wk = 0.0025641 k( 273) = ( 0.1224828 -0.1224828 0.0000000), wk = 0.0025641 k( 274) = ( 0.1143173 -0.1143173 -0.0000000), wk = 0.0025641 k( 275) = ( 0.1061518 -0.1061518 0.0000000), wk = 0.0025641 k( 276) = ( 0.0979862 -0.0979863 -0.0000000), wk = 0.0025641 k( 277) = ( 0.0898207 -0.0898207 -0.0000000), wk = 0.0025641 k( 278) = ( 0.0816552 -0.0816552 0.0000000), wk = 0.0025641 k( 279) = ( 0.0734897 -0.0734897 -0.0000000), wk = 0.0025641 k( 280) = ( 0.0653242 -0.0653242 -0.0000000), wk = 0.0025641 k( 281) = ( 0.0571586 -0.0571586 0.0000000), wk = 0.0025641 k( 282) = ( 0.0489931 -0.0489931 0.0000000), wk = 0.0025641 k( 283) = ( 0.0408276 -0.0408276 0.0000000), wk = 0.0025641 k( 284) = ( 0.0326621 -0.0326621 -0.0000000), wk = 0.0025641 k( 285) = ( 0.0244966 -0.0244966 0.0000000), wk = 0.0025641 k( 286) = ( 0.0163310 -0.0163310 -0.0000000), wk = 0.0025641 k( 287) = ( 0.0081655 -0.0081655 -0.0000000), wk = 0.0025641 k( 288) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 289) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 290) = ( 0.0119048 -0.0000000 0.0000000), wk = 0.0025641 k( 291) = ( 0.0238095 -0.0000000 0.0000000), wk = 0.0025641 k( 292) = ( 0.0357143 -0.0000000 0.0000000), wk = 0.0025641 k( 293) = ( 0.0476191 -0.0000000 0.0000000), wk = 0.0025641 k( 294) = ( 0.0595238 -0.0000000 -0.0000000), wk = 0.0025641 k( 295) = ( 0.0714286 -0.0000000 0.0000000), wk = 0.0025641 k( 296) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0025641 k( 297) = ( 0.0952381 -0.0000000 0.0000000), wk = 0.0025641 k( 298) = ( 0.1071429 -0.0000000 0.0000000), wk = 0.0025641 k( 299) = ( 0.1190476 -0.0000000 -0.0000000), wk = 0.0025641 k( 300) = ( 0.1309524 -0.0000000 0.0000000), wk = 0.0025641 k( 301) = ( 0.1428571 -0.0000000 0.0000000), wk = 0.0025641 k( 302) = ( 0.1547619 0.0000000 -0.0000000), wk = 0.0025641 k( 303) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0025641 k( 304) = ( 0.1785714 -0.0000000 0.0000000), wk = 0.0025641 k( 305) = ( 0.1904762 0.0000000 -0.0000000), wk = 0.0025641 k( 306) = ( 0.2023810 0.0000000 0.0000000), wk = 0.0025641 k( 307) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0025641 k( 308) = ( 0.2261905 0.0000000 0.0000000), wk = 0.0025641 k( 309) = ( 0.2380952 -0.0000000 -0.0000000), wk = 0.0025641 k( 310) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0025641 k( 311) = ( 0.2619048 -0.0000000 0.0000000), wk = 0.0025641 k( 312) = ( 0.2738095 -0.0000000 -0.0000000), wk = 0.0025641 k( 313) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0025641 k( 314) = ( 0.2976190 0.0000000 0.0000000), wk = 0.0025641 k( 315) = ( 0.3095238 -0.0000000 0.0000000), wk = 0.0025641 k( 316) = ( 0.3214286 0.0000000 0.0000000), wk = 0.0025641 k( 317) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0025641 k( 318) = ( 0.3452381 0.0000000 -0.0000000), wk = 0.0025641 k( 319) = ( 0.3571429 -0.0000000 0.0000000), wk = 0.0025641 k( 320) = ( 0.3690476 0.0000000 0.0000000), wk = 0.0025641 k( 321) = ( 0.3809524 0.0000000 -0.0000000), wk = 0.0025641 k( 322) = ( 0.3928571 -0.0000000 0.0000000), wk = 0.0025641 k( 323) = ( 0.4047619 0.0000000 0.0000000), wk = 0.0025641 k( 324) = ( 0.4166667 -0.0000000 0.0000000), wk = 0.0025641 k( 325) = ( 0.4285714 -0.0000000 0.0000000), wk = 0.0025641 k( 326) = ( 0.4404762 -0.0000000 0.0000000), wk = 0.0025641 k( 327) = ( 0.4523810 -0.0000000 0.0000000), wk = 0.0025641 k( 328) = ( 0.4642857 -0.0000000 0.0000000), wk = 0.0025641 k( 329) = ( 0.4761905 -0.0000000 -0.0000000), wk = 0.0025641 k( 330) = ( 0.4880952 -0.0000000 0.0000000), wk = 0.0025641 k( 331) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0025641 k( 332) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0025641 k( 333) = ( 0.4913793 -0.0000000 0.4913793), wk = 0.0025641 k( 334) = ( 0.4827586 0.0000000 0.4827586), wk = 0.0025641 k( 335) = ( 0.4741379 -0.0000000 0.4741379), wk = 0.0025641 k( 336) = ( 0.4655172 -0.0000000 0.4655172), wk = 0.0025641 k( 337) = ( 0.4568966 -0.0000000 0.4568965), wk = 0.0025641 k( 338) = ( 0.4482759 0.0000000 0.4482759), wk = 0.0025641 k( 339) = ( 0.4396552 -0.0000000 0.4396552), wk = 0.0025641 k( 340) = ( 0.4310345 0.0000000 0.4310345), wk = 0.0025641 k( 341) = ( 0.4224138 0.0000000 0.4224138), wk = 0.0025641 k( 342) = ( 0.4137931 -0.0000000 0.4137931), wk = 0.0025641 k( 343) = ( 0.4051724 -0.0000000 0.4051724), wk = 0.0025641 k( 344) = ( 0.3965517 -0.0000000 0.3965517), wk = 0.0025641 k( 345) = ( 0.3879310 0.0000000 0.3879310), wk = 0.0025641 k( 346) = ( 0.3793103 0.0000000 0.3793103), wk = 0.0025641 k( 347) = ( 0.3706897 -0.0000000 0.3706897), wk = 0.0025641 k( 348) = ( 0.3620690 0.0000000 0.3620690), wk = 0.0025641 k( 349) = ( 0.3534483 -0.0000000 0.3534483), wk = 0.0025641 k( 350) = ( 0.3448276 0.0000000 0.3448276), wk = 0.0025641 k( 351) = ( 0.3362069 -0.0000000 0.3362069), wk = 0.0025641 k( 352) = ( 0.3275862 0.0000000 0.3275862), wk = 0.0025641 k( 353) = ( 0.3189655 -0.0000000 0.3189655), wk = 0.0025641 k( 354) = ( 0.3103448 -0.0000000 0.3103448), wk = 0.0025641 k( 355) = ( 0.3017241 0.0000000 0.3017241), wk = 0.0025641 k( 356) = ( 0.2931034 -0.0000000 0.2931034), wk = 0.0025641 k( 357) = ( 0.2844828 -0.0000000 0.2844828), wk = 0.0025641 k( 358) = ( 0.2758621 -0.0000000 0.2758621), wk = 0.0025641 k( 359) = ( 0.2672414 0.0000000 0.2672414), wk = 0.0025641 k( 360) = ( 0.2586207 -0.0000000 0.2586207), wk = 0.0025641 k( 361) = ( 0.2500000 -0.0000000 0.2500000), wk = 0.0025641 k( 362) = ( 0.2413793 0.0000000 0.2413793), wk = 0.0025641 k( 363) = ( 0.2327586 -0.0000000 0.2327586), wk = 0.0025641 k( 364) = ( 0.2241379 0.0000000 0.2241379), wk = 0.0025641 k( 365) = ( 0.2155172 0.0000000 0.2155172), wk = 0.0025641 k( 366) = ( 0.2068966 -0.0000000 0.2068966), wk = 0.0025641 k( 367) = ( 0.1982759 -0.0000000 0.1982759), wk = 0.0025641 k( 368) = ( 0.1896552 0.0000000 0.1896552), wk = 0.0025641 k( 369) = ( 0.1810345 -0.0000000 0.1810345), wk = 0.0025641 k( 370) = ( 0.1724138 0.0000000 0.1724138), wk = 0.0025641 k( 371) = ( 0.1637931 0.0000000 0.1637931), wk = 0.0025641 k( 372) = ( 0.1551724 0.0000000 0.1551724), wk = 0.0025641 k( 373) = ( 0.1465517 0.0000000 0.1465517), wk = 0.0025641 k( 374) = ( 0.1379310 0.0000000 0.1379310), wk = 0.0025641 k( 375) = ( 0.1293103 -0.0000000 0.1293103), wk = 0.0025641 k( 376) = ( 0.1206897 -0.0000000 0.1206897), wk = 0.0025641 k( 377) = ( 0.1120690 -0.0000000 0.1120690), wk = 0.0025641 k( 378) = ( 0.1034483 -0.0000000 0.1034483), wk = 0.0025641 k( 379) = ( 0.0948276 0.0000000 0.0948276), wk = 0.0025641 k( 380) = ( 0.0862069 -0.0000000 0.0862069), wk = 0.0025641 k( 381) = ( 0.0775862 -0.0000000 0.0775862), wk = 0.0025641 k( 382) = ( 0.0689655 0.0000000 0.0689655), wk = 0.0025641 k( 383) = ( 0.0603448 -0.0000000 0.0603448), wk = 0.0025641 k( 384) = ( 0.0517241 -0.0000000 0.0517241), wk = 0.0025641 k( 385) = ( 0.0431035 -0.0000000 0.0431035), wk = 0.0025641 k( 386) = ( 0.0344828 0.0000000 0.0344828), wk = 0.0025641 k( 387) = ( 0.0258621 -0.0000000 0.0258621), wk = 0.0025641 k( 388) = ( 0.0172414 0.0000000 0.0172414), wk = 0.0025641 k( 389) = ( 0.0086207 0.0000000 0.0086207), wk = 0.0025641 k( 390) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 Dense grid: 35763 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 14127 G-vectors FFT dimensions: ( 32, 32, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 78, 26) NL pseudopotentials 0.04 Mb ( 39, 62) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.01 Mb ( 743) G-vector shells 0.01 Mb ( 705) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.12 Mb ( 78, 104) Each subspace H/S matrix 0.17 Mb ( 104, 104) Each matrix 0.05 Mb ( 62, 2, 26) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./KCN.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.6 secs Computing kpt #: 2 total cpu time spent up to now is 41.0 secs Computing kpt #: 3 total cpu time spent up to now is 41.4 secs Computing kpt #: 4 total cpu time spent up to now is 41.9 secs Computing kpt #: 5 total cpu time spent up to now is 42.3 secs Computing kpt #: 6 total cpu time spent up to now is 42.7 secs Computing kpt #: 7 total cpu time spent up to now is 43.1 secs Computing kpt #: 8 total cpu time spent up to now is 43.5 secs Computing kpt #: 9 total cpu time spent up to now is 43.9 secs Computing kpt #: 10 total cpu time spent up to now is 44.3 secs Computing kpt #: 11 total cpu time spent up to now is 44.8 secs Computing kpt #: 12 total cpu time spent up to now is 45.2 secs Computing kpt #: 13 total cpu time spent up to now is 45.6 secs Computing kpt #: 14 total cpu time spent up to now is 46.0 secs Computing kpt #: 15 total cpu time spent up to now is 46.4 secs Computing kpt #: 16 total cpu time spent up to now is 46.8 secs Computing kpt #: 17 total cpu time spent up to now is 47.3 secs Computing kpt #: 18 total cpu time spent up to now is 47.7 secs Computing kpt #: 19 total cpu time spent up to now is 48.1 secs Computing kpt #: 20 total cpu time spent up to now is 48.6 secs Computing kpt #: 21 total cpu time spent up to now is 49.0 secs Computing kpt #: 22 total cpu time spent up to now is 49.6 secs Computing kpt #: 23 total cpu time spent up to now is 50.0 secs Computing kpt #: 24 total cpu time spent up to now is 50.5 secs Computing kpt #: 25 total cpu time spent up to now is 51.0 secs Computing kpt #: 26 total cpu time spent up to now is 51.5 secs Computing kpt #: 27 total cpu time spent up to now is 52.0 secs Computing kpt #: 28 total cpu time spent up to now is 52.6 secs Computing kpt #: 29 total cpu time spent up to now is 53.1 secs Computing kpt #: 30 total cpu time spent up to now is 53.6 secs Computing kpt #: 31 total cpu 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Computing kpt #: 47 total cpu time spent up to now is 62.3 secs Computing kpt #: 48 total cpu time spent up to now is 62.7 secs Computing kpt #: 49 total cpu time spent up to now is 63.0 secs Computing kpt #: 50 total cpu time spent up to now is 63.5 secs Computing kpt #: 51 total cpu time spent up to now is 63.9 secs Computing kpt #: 52 total cpu time spent up to now is 64.3 secs Computing kpt #: 53 total cpu time spent up to now is 64.6 secs Computing kpt #: 54 total cpu time spent up to now is 65.0 secs Computing kpt #: 55 total cpu time spent up to now is 65.3 secs Computing kpt #: 56 total cpu time spent up to now is 65.7 secs Computing kpt #: 57 total cpu time spent up to now is 66.0 secs Computing kpt #: 58 total cpu time spent up to now is 66.3 secs Computing kpt #: 59 total cpu time spent up to now is 66.6 secs Computing kpt #: 60 total cpu time spent up to now is 67.0 secs Computing kpt #: 61 total cpu time spent up to now is 67.3 secs Computing kpt #: 62 total cpu time spent up to now is 67.6 secs Computing kpt #: 63 total cpu time spent up to now is 67.9 secs Computing kpt #: 64 total cpu time spent up to now is 68.3 secs Computing kpt #: 65 total cpu time spent up to now is 68.6 secs Computing kpt #: 66 total cpu time spent up to now is 69.0 secs Computing kpt #: 67 total cpu time spent up to now is 69.3 secs Computing kpt #: 68 total cpu time spent up to now is 69.7 secs Computing kpt #: 69 total cpu time spent up to now is 70.1 secs Computing kpt #: 70 total cpu time spent up to now is 70.5 secs Computing kpt #: 71 total cpu time spent up to now is 71.0 secs Computing kpt #: 72 total cpu time spent up to now is 71.3 secs Computing kpt #: 73 total cpu time spent up to now is 71.7 secs Computing kpt #: 74 total cpu time spent up to now is 72.2 secs Computing kpt #: 75 total cpu time spent up to now is 72.5 secs Computing kpt #: 76 total cpu time spent up to now is 72.9 secs Computing kpt #: 77 total cpu time spent up to now is 73.3 secs Computing kpt #: 78 total cpu time spent up to now is 73.6 secs Computing kpt #: 79 total cpu time spent up to now is 74.0 secs Computing kpt #: 80 total cpu time spent up to now is 74.3 secs Computing kpt #: 81 total cpu time spent up to now is 74.7 secs Computing kpt #: 82 total cpu time spent up to now is 75.1 secs Computing kpt #: 83 total cpu time spent up to now is 75.4 secs Computing kpt #: 84 total cpu time spent up to now is 75.8 secs Computing kpt #: 85 total cpu time spent up to now is 76.3 secs Computing kpt #: 86 total cpu time spent up to now is 76.8 secs Computing kpt #: 87 total cpu time spent up to now is 77.4 secs Computing kpt #: 88 total cpu time spent up to now is 78.0 secs Computing kpt #: 89 total cpu time spent up to now is 78.4 secs Computing kpt #: 90 total cpu time spent up to now is 78.8 secs Computing kpt #: 91 total cpu time spent up to now is 79.3 secs Computing kpt #: 92 total cpu time spent up to now is 79.7 secs Computing kpt #: 93 total cpu time spent up to now is 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total cpu time spent up to now is 87.3 secs Computing kpt #: 110 total cpu time spent up to now is 87.8 secs Computing kpt #: 111 total cpu time spent up to now is 88.2 secs Computing kpt #: 112 total cpu time spent up to now is 88.7 secs Computing kpt #: 113 total cpu time spent up to now is 89.2 secs Computing kpt #: 114 total cpu time spent up to now is 89.6 secs Computing kpt #: 115 total cpu time spent up to now is 90.2 secs Computing kpt #: 116 total cpu time spent up to now is 90.6 secs Computing kpt #: 117 total cpu time spent up to now is 91.1 secs Computing kpt #: 118 total cpu time spent up to now is 91.6 secs Computing kpt #: 119 total cpu time spent up to now is 92.1 secs Computing kpt #: 120 total cpu time spent up to now is 92.5 secs Computing kpt #: 121 total cpu time spent up to now is 93.2 secs Computing kpt #: 122 total cpu time spent up to now is 93.8 secs Computing kpt #: 123 total cpu time spent up to now is 94.4 secs Computing kpt #: 124 total cpu time spent up 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Computing kpt #: 140 total cpu time spent up to now is 102.3 secs Computing kpt #: 141 total cpu time spent up to now is 102.8 secs Computing kpt #: 142 total cpu time spent up to now is 103.1 secs Computing kpt #: 143 total cpu time spent up to now is 103.5 secs Computing kpt #: 144 total cpu time spent up to now is 103.9 secs Computing kpt #: 145 total cpu time spent up to now is 104.2 secs Computing kpt #: 146 total cpu time spent up to now is 104.6 secs Computing kpt #: 147 total cpu time spent up to now is 105.0 secs Computing kpt #: 148 total cpu time spent up to now is 105.4 secs Computing kpt #: 149 total cpu time spent up to now is 105.9 secs Computing kpt #: 150 total cpu time spent up to now is 106.4 secs Computing kpt #: 151 total cpu time spent up to now is 106.9 secs Computing kpt #: 152 total cpu time spent up to now is 107.4 secs Computing kpt #: 153 total cpu time spent up to now is 107.9 secs Computing kpt #: 154 total cpu time spent up to now is 108.4 secs Computing kpt #: 155 total cpu time spent up to now is 108.9 secs Computing kpt #: 156 total cpu time spent up to now is 109.3 secs Computing kpt #: 157 total cpu time spent up to now is 110.1 secs Computing kpt #: 158 total cpu time spent up to now is 110.5 secs Computing kpt #: 159 total cpu time spent up to now is 111.1 secs Computing kpt #: 160 total cpu time spent up to now is 111.8 secs Computing kpt #: 161 total cpu time spent up to now is 112.6 secs Computing kpt #: 162 total cpu time spent up to now is 113.0 secs Computing kpt #: 163 total cpu time spent up to now is 113.5 secs Computing kpt #: 164 total cpu time spent up to now is 114.0 secs Computing kpt #: 165 total cpu time spent up to now is 114.4 secs Computing kpt #: 166 total cpu time spent up to now is 114.7 secs Computing kpt #: 167 total cpu time spent up to now is 115.1 secs Computing kpt #: 168 total cpu time spent up to now is 115.4 secs Computing kpt #: 169 total cpu time spent up to now is 115.7 secs Computing kpt #: 170 total cpu time spent up to now is 116.0 secs Computing kpt #: 171 total cpu time spent up to now is 116.3 secs Computing kpt #: 172 total cpu time spent up to now is 116.6 secs Computing kpt #: 173 total cpu time spent up to now is 117.0 secs Computing kpt #: 174 total cpu time spent up to now is 117.4 secs Computing kpt #: 175 total cpu time spent up to now is 117.9 secs Computing kpt #: 176 total cpu time spent up to now is 118.2 secs Computing kpt #: 177 total cpu time spent up to now is 118.6 secs Computing kpt #: 178 total cpu time spent up to now is 119.0 secs Computing kpt #: 179 total cpu time spent up to now is 119.3 secs Computing kpt #: 180 total cpu time spent up to now is 119.7 secs Computing kpt #: 181 total cpu time spent up to now is 120.1 secs Computing kpt #: 182 total cpu time spent up to now is 120.5 secs Computing kpt #: 183 total cpu time spent up to now is 120.9 secs Computing kpt #: 184 total cpu time spent up to now is 121.2 secs Computing kpt #: 185 total cpu time spent up to now is 121.6 secs Computing kpt #: 186 total cpu time spent up to now is 122.0 secs Computing kpt #: 187 total cpu time spent up to now is 122.4 secs Computing kpt #: 188 total cpu time spent up to now is 122.8 secs Computing kpt #: 189 total cpu time spent up to now is 123.2 secs Computing kpt #: 190 total cpu time spent up to now is 123.5 secs Computing kpt #: 191 total cpu time spent up to now is 123.8 secs Computing kpt #: 192 total cpu time spent up to now is 124.2 secs Computing kpt #: 193 total cpu time spent up to now is 124.6 secs Computing kpt #: 194 total cpu time spent up to now is 125.0 secs Computing kpt #: 195 total cpu time spent up to now is 125.4 secs Computing kpt #: 196 total cpu time spent up to now is 125.7 secs Computing kpt #: 197 total cpu time spent up to now is 126.1 secs Computing kpt #: 198 total cpu time spent up to now is 126.5 secs Computing kpt #: 199 total cpu time spent up to now is 126.9 secs Computing kpt #: 200 total cpu time spent up to now is 127.3 secs Computing kpt #: 201 total cpu time spent up to now is 127.7 secs Computing kpt #: 202 total cpu time spent up to now is 128.1 secs Computing kpt #: 203 total cpu time spent up to now is 128.4 secs Computing kpt #: 204 total cpu time spent up to now is 128.8 secs Computing kpt #: 205 total cpu time spent up to now is 129.2 secs Computing kpt #: 206 total cpu time spent up to now is 129.7 secs Computing kpt #: 207 total cpu time spent up to now is 130.1 secs Computing kpt #: 208 total cpu time spent up to now is 130.5 secs Computing kpt #: 209 total cpu time spent up to now is 130.9 secs Computing kpt #: 210 total cpu time spent up to now is 131.4 secs Computing kpt #: 211 total cpu time spent up to now is 131.8 secs Computing kpt #: 212 total cpu time spent up to now is 132.2 secs Computing kpt #: 213 total cpu time spent up to now is 132.6 secs Computing kpt #: 214 total cpu time spent up to now is 133.0 secs Computing kpt #: 215 total cpu time spent up to now is 133.4 secs Computing kpt #: 216 total cpu time spent up to now is 133.8 secs Computing kpt #: 217 total cpu time spent up to now is 134.2 secs Computing kpt #: 218 total cpu time spent up to now is 134.5 secs Computing kpt #: 219 total cpu time spent up to now is 135.0 secs Computing kpt #: 220 total cpu time spent up to now is 135.4 secs Computing kpt #: 221 total cpu time spent up to now is 135.8 secs Computing kpt #: 222 total cpu time spent up to now is 136.5 secs Computing kpt #: 223 total cpu time spent up to now is 136.9 secs Computing kpt #: 224 total cpu time spent up to now is 137.3 secs Computing kpt #: 225 total cpu time spent up to now is 137.7 secs Computing kpt #: 226 total cpu time spent up to now is 138.1 secs Computing kpt #: 227 total cpu time spent up to now is 138.4 secs Computing kpt #: 228 total cpu time spent up to now is 138.8 secs Computing kpt #: 229 total cpu time spent up to now is 139.1 secs Computing kpt #: 230 total cpu time spent up to now is 139.4 secs Computing kpt #: 231 total cpu time spent up to now is 139.8 secs Computing kpt #: 232 total cpu time spent up to now is 140.1 secs Computing kpt #: 233 total cpu time spent up to now is 140.5 secs Computing kpt #: 234 total cpu time spent up to now is 140.8 secs Computing kpt #: 235 total cpu time spent up to now is 141.3 secs Computing kpt #: 236 total cpu time spent up to now is 141.7 secs Computing kpt #: 237 total cpu time spent up to now is 142.1 secs Computing kpt #: 238 total cpu time spent up to now is 142.6 secs Computing kpt #: 239 total cpu time spent up to now is 143.0 secs Computing kpt #: 240 total cpu time spent up to now is 143.3 secs Computing kpt #: 241 total cpu time spent up to now is 143.7 secs Computing kpt #: 242 total cpu time spent up to now is 144.1 secs Computing kpt #: 243 total cpu time spent up to now is 144.4 secs Computing kpt #: 244 total cpu time spent up to now is 144.8 secs Computing kpt #: 245 total cpu time spent up to now is 145.2 secs Computing kpt #: 246 total cpu time spent up to now is 145.6 secs Computing kpt #: 247 total cpu time spent up to now is 146.0 secs Computing kpt #: 248 total cpu time spent up to now is 146.3 secs Computing kpt #: 249 total cpu time spent up to now is 146.7 secs Computing kpt #: 250 total cpu time spent up to now is 147.1 secs Computing kpt #: 251 total cpu time spent up to now is 147.6 secs Computing kpt #: 252 total cpu time spent up to now is 148.1 secs Computing kpt #: 253 total cpu time spent up to now is 148.6 secs Computing kpt #: 254 total cpu time spent up to now is 149.0 secs Computing kpt #: 255 total cpu time spent up to now is 149.4 secs Computing kpt #: 256 total cpu time spent up to now is 149.8 secs Computing kpt #: 257 total cpu time spent up to now is 150.2 secs Computing kpt #: 258 total cpu time spent up to now is 150.5 secs Computing kpt #: 259 total cpu time spent up to now is 150.9 secs Computing kpt #: 260 total cpu time spent up to now is 151.2 secs Computing kpt #: 261 total cpu time spent up to now is 151.6 secs Computing kpt #: 262 total cpu time spent up to now is 151.9 secs Computing kpt #: 263 total cpu time spent up to now is 152.3 secs Computing kpt #: 264 total cpu time spent up to now is 152.7 secs Computing kpt #: 265 total cpu time spent up to now is 153.3 secs Computing kpt #: 266 total cpu time spent up to now is 153.9 secs Computing kpt #: 267 total cpu time spent up to now is 154.5 secs Computing kpt #: 268 total cpu time spent up to now is 155.5 secs Computing kpt #: 269 total cpu time spent up to now is 156.6 secs Computing kpt #: 270 total cpu time spent up to now is 157.2 secs Computing kpt #: 271 total cpu time spent up to now is 157.7 secs Computing kpt #: 272 total cpu time spent up to now is 158.1 secs Computing kpt #: 273 total cpu time spent up to now is 158.5 secs Computing kpt #: 274 total cpu time spent up to now is 158.9 secs Computing kpt #: 275 total cpu time spent up to now is 159.3 secs Computing kpt #: 276 total cpu time spent up to now is 159.7 secs Computing kpt #: 277 total cpu time spent up to now is 160.1 secs Computing kpt #: 278 total cpu time spent up to now is 160.5 secs Computing kpt #: 279 total cpu time spent up to now is 160.9 secs Computing kpt #: 280 total cpu time spent up to now is 161.4 secs Computing kpt #: 281 total cpu time spent up to now is 161.8 secs Computing kpt #: 282 total cpu time spent up to now is 162.3 secs Computing kpt #: 283 total cpu time spent up to now is 162.9 secs Computing kpt #: 284 total cpu time spent up to now is 163.7 secs Computing kpt #: 285 total cpu time spent up to now is 164.3 secs Computing kpt #: 286 total cpu time spent up to now is 164.7 secs Computing kpt #: 287 total cpu time spent up to now is 165.2 secs Computing kpt #: 288 total cpu time spent up to now is 165.7 secs Computing kpt #: 289 total cpu time spent up to now is 166.1 secs Computing kpt #: 290 total cpu time spent up to now is 166.5 secs Computing kpt #: 291 total cpu time spent up to now is 166.9 secs Computing kpt #: 292 total cpu time spent up to now is 167.3 secs Computing kpt #: 293 total cpu time spent up to now is 167.7 secs Computing kpt #: 294 total cpu time spent up to now is 168.1 secs Computing kpt #: 295 total cpu time spent up to now is 168.5 secs Computing kpt #: 296 total cpu time spent up to now is 168.9 secs Computing kpt #: 297 total cpu time spent up to now is 169.4 secs Computing kpt #: 298 total cpu time spent up to now is 169.9 secs Computing kpt #: 299 total cpu time spent up to now is 170.5 secs Computing kpt #: 300 total cpu time spent up to now is 171.2 secs Computing kpt #: 301 total cpu time spent up to now is 171.6 secs Computing kpt #: 302 total cpu time spent up to now is 172.1 secs Computing kpt #: 303 total cpu time spent up to now is 172.6 secs Computing kpt #: 304 total cpu time spent up to now is 173.1 secs Computing kpt #: 305 total cpu time spent up to now is 173.6 secs Computing kpt #: 306 total cpu time spent up to now is 174.4 secs Computing kpt #: 307 total cpu time spent up to now is 175.2 secs Computing kpt #: 308 total cpu time spent up to now is 176.0 secs Computing kpt #: 309 total cpu time spent up to now is 176.4 secs Computing kpt #: 310 total cpu time spent up to now is 177.1 secs Computing kpt #: 311 total cpu time spent up to now is 177.5 secs Computing kpt #: 312 total cpu time spent up to now is 177.9 secs Computing kpt #: 313 total cpu time spent up to now is 178.2 secs Computing kpt #: 314 total cpu time spent up to now is 178.5 secs Computing kpt #: 315 total cpu time spent up to now is 179.6 secs Computing kpt #: 316 total cpu time spent up to now is 179.9 secs Computing kpt #: 317 total cpu time spent up to now is 180.3 secs Computing kpt #: 318 total cpu time spent up to now is 180.7 secs Computing kpt #: 319 total cpu time spent up to now is 181.3 secs Computing kpt #: 320 total cpu time spent up to now is 181.6 secs Computing kpt #: 321 total cpu time spent up to now is 181.9 secs Computing kpt #: 322 total cpu time spent up to now is 182.1 secs Computing kpt #: 323 total cpu time spent up to now is 182.4 secs Computing kpt #: 324 total cpu time spent up to now is 182.7 secs Computing kpt #: 325 total cpu time spent up to now is 183.0 secs Computing kpt #: 326 total cpu time spent up to now is 183.3 secs Computing kpt #: 327 total cpu time spent up to now is 183.6 secs Computing kpt #: 328 total cpu time spent up to now is 183.9 secs Computing kpt #: 329 total cpu time spent up to now is 184.2 secs Computing kpt #: 330 total cpu time spent up to now is 184.5 secs Computing kpt #: 331 total cpu time spent up to now is 184.9 secs Computing kpt #: 332 total cpu time spent up to now is 185.3 secs Computing kpt #: 333 total cpu time spent up to now is 185.6 secs Computing kpt #: 334 total cpu time spent up to now is 186.0 secs Computing kpt #: 335 total cpu time spent up to now is 186.3 secs Computing kpt #: 336 total cpu time spent up to now is 186.7 secs Computing kpt #: 337 total cpu time spent up to now is 187.0 secs Computing kpt #: 338 total cpu time spent up to now is 187.4 secs Computing kpt #: 339 total cpu time spent up to now is 187.9 secs Computing kpt #: 340 total cpu time spent up to now is 188.4 secs Computing kpt #: 341 total cpu time spent up to now is 189.1 secs Computing kpt #: 342 total cpu time spent up to now is 189.5 secs Computing kpt #: 343 total cpu time spent up to now is 189.8 secs Computing kpt #: 344 total cpu time spent up to now is 190.3 secs Computing kpt #: 345 total cpu time spent up to now is 190.7 secs Computing kpt #: 346 total cpu time spent up to now is 191.1 secs Computing kpt #: 347 total cpu time spent up to now is 191.4 secs Computing kpt #: 348 total cpu time spent up to now is 191.7 secs Computing kpt #: 349 total cpu time spent up to now is 192.1 secs Computing kpt #: 350 total cpu time spent up to now is 192.7 secs Computing kpt #: 351 total cpu time spent up to now is 193.1 secs Computing kpt #: 352 total cpu time spent up to now is 193.6 secs Computing kpt #: 353 total cpu time spent up to now is 194.1 secs Computing kpt #: 354 total cpu time spent up to now is 194.7 secs Computing kpt #: 355 total cpu time spent up to now is 195.6 secs Computing kpt #: 356 total cpu time spent up to now is 196.4 secs Computing kpt #: 357 total cpu time spent up to now is 196.9 secs Computing kpt #: 358 total cpu time spent up to now is 197.5 secs Computing kpt #: 359 total cpu time spent up to now is 198.0 secs Computing kpt #: 360 total cpu time spent up to now is 198.4 secs Computing kpt #: 361 total cpu time spent up to now is 198.8 secs Computing kpt #: 362 total cpu time spent up to now is 199.2 secs Computing kpt #: 363 total cpu time spent up to now is 199.6 secs Computing kpt #: 364 total cpu time spent up to now is 200.1 secs Computing kpt #: 365 total cpu time spent up to now is 200.6 secs Computing kpt #: 366 total cpu time spent up to now is 201.0 secs Computing kpt #: 367 total cpu time spent up to now is 201.8 secs Computing kpt #: 368 total cpu time spent up to now is 202.4 secs Computing kpt #: 369 total cpu time spent up to now is 202.8 secs Computing kpt #: 370 total cpu time spent up to now is 203.3 secs Computing kpt #: 371 total cpu time spent up to now is 203.7 secs Computing kpt #: 372 total cpu time spent up to now is 204.3 secs Computing kpt #: 373 total cpu time spent up to now is 204.8 secs Computing kpt #: 374 total cpu time spent up to now is 205.3 secs Computing kpt #: 375 total cpu time spent up to now is 205.7 secs Computing kpt #: 376 total cpu time spent up to now is 206.0 secs Computing kpt #: 377 total cpu time spent up to now is 206.4 secs Computing kpt #: 378 total cpu time spent up to now is 206.8 secs Computing kpt #: 379 total cpu time spent up to now is 207.3 secs Computing kpt #: 380 total cpu time spent up to now is 207.7 secs Computing kpt #: 381 total cpu time spent up to now is 208.1 secs Computing kpt #: 382 total cpu time spent up to now is 208.5 secs Computing kpt #: 383 total cpu time spent up to now is 208.9 secs Computing kpt #: 384 total cpu time spent up to now is 209.3 secs Computing kpt #: 385 total cpu time spent up to now is 209.7 secs Computing kpt #: 386 total cpu time spent up to now is 210.1 secs Computing kpt #: 387 total cpu time spent up to now is 210.5 secs Computing kpt #: 388 total cpu time spent up to now is 210.9 secs Computing kpt #: 389 total cpu time spent up to now is 211.3 secs Computing kpt #: 390 total cpu time spent up to now is 211.7 secs ethr = 5.56E-11, avg # of iterations = 31.5 total cpu time spent up to now is 212.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1779 PWs) bands (ev): -25.3686 -25.3686 -13.6119 -13.6119 -8.9445 -8.9445 -8.6961 -8.6961 -8.6498 -8.6498 -0.8793 -0.8793 0.5821 0.5821 0.7276 0.7276 0.8692 0.8692 6.9936 6.9936 7.2768 7.2768 10.6183 10.6183 11.5297 11.5297 k = 0.0086 0.0081-0.0010 ( 1783 PWs) bands (ev): -25.3686 -25.3686 -13.6119 -13.6119 -8.9446 -8.9445 -8.6962 -8.6962 -8.6500 -8.6499 -0.8808 -0.8808 0.5818 0.5818 0.7268 0.7268 0.8710 0.8711 6.9953 6.9953 7.2788 7.2788 10.6174 10.6174 11.5297 11.5297 k = 0.0172 0.0163-0.0020 ( 1781 PWs) bands (ev): -25.3685 -25.3685 -13.6118 -13.6118 -8.9449 -8.9446 -8.6965 -8.6964 -8.6503 -8.6500 -0.8852 -0.8852 0.5809 0.5810 0.7244 0.7245 0.8766 0.8767 7.0004 7.0006 7.2847 7.2847 10.6147 10.6147 11.5298 11.5299 k = 0.0259 0.0244-0.0029 ( 1779 PWs) bands (ev): -25.3683 -25.3683 -13.6116 -13.6116 -8.9453 -8.9449 -8.6968 -8.6968 -8.6508 -8.6503 -0.8924 -0.8924 0.5795 0.5796 0.7205 0.7206 0.8856 0.8858 7.0091 7.0093 7.2946 7.2946 10.6100 10.6100 11.5301 11.5301 k = 0.0345 0.0325-0.0039 ( 1777 PWs) bands (ev): -25.3681 -25.3681 -13.6113 -13.6113 -8.9459 -8.9454 -8.6974 -8.6973 -8.6514 -8.6507 -0.9024 -0.9024 0.5778 0.5779 0.7151 0.7152 0.8981 0.8983 7.0212 7.0214 7.3084 7.3084 10.6032 10.6032 11.5304 11.5305 k = 0.0431 0.0406-0.0049 ( 1773 PWs) bands (ev): -25.3677 -25.3677 -13.6109 -13.6109 -8.9466 -8.9460 -8.6980 -8.6980 -8.6521 -8.6513 -0.9149 -0.9149 0.5757 0.5758 0.7082 0.7083 0.9136 0.9138 7.0366 7.0370 7.3259 7.3259 10.5941 10.5941 11.5309 11.5310 k = 0.0517 0.0488-0.0059 ( 1775 PWs) bands (ev): -25.3674 -25.3674 -13.6105 -13.6104 -8.9475 -8.9467 -8.6989 -8.6988 -8.6530 -8.6520 -0.9297 -0.9297 0.5735 0.5736 0.6998 0.6999 0.9318 0.9321 7.0553 7.0558 7.3472 7.3472 10.5825 10.5825 11.5316 11.5318 k = 0.0603 0.0569-0.0069 ( 1771 PWs) bands (ev): -25.3669 -25.3669 -13.6099 -13.6099 -8.9485 -8.9477 -8.7000 -8.6998 -8.6540 -8.6528 -0.9467 -0.9466 0.5712 0.5712 0.6901 0.6901 0.9524 0.9527 7.0773 7.0778 7.3722 7.3722 10.5681 10.5681 11.5326 11.5327 k = 0.0690 0.0650-0.0078 ( 1775 PWs) bands (ev): -25.3664 -25.3664 -13.6093 -13.6093 -8.9497 -8.9488 -8.7012 -8.7010 -8.6552 -8.6538 -0.9655 -0.9654 0.5688 0.5688 0.6789 0.6790 0.9751 0.9754 7.1024 7.1030 7.4006 7.4006 10.5507 10.5507 11.5338 11.5339 k = 0.0776 0.0731-0.0088 ( 1773 PWs) bands (ev): -25.3658 -25.3658 -13.6086 -13.6086 -8.9511 -8.9501 -8.7027 -8.7023 -8.6564 -8.6548 -0.9859 -0.9858 0.5664 0.5664 0.6665 0.6665 0.9996 0.9999 7.1305 7.1311 7.4324 7.4325 10.5300 10.5300 11.5353 11.5355 k = 0.0862 0.0813-0.0098 ( 1771 PWs) bands (ev): -25.3652 -25.3652 -13.6078 -13.6077 -8.9527 -8.9515 -8.7043 -8.7039 -8.6578 -8.6559 -1.0076 -1.0075 0.5641 0.5642 0.6528 0.6529 1.0256 1.0259 7.1616 7.1622 7.4675 7.4675 10.5058 10.5058 11.5373 11.5375 k = 0.0948 0.0894-0.0108 ( 1765 PWs) bands (ev): -25.3644 -25.3644 -13.6068 -13.6068 -8.9545 -8.9532 -8.7061 -8.7056 -8.6592 -8.6571 -1.0304 -1.0303 0.5619 0.5620 0.6381 0.6382 1.0528 1.0531 7.1953 7.1961 7.5057 7.5057 10.4780 10.4780 11.5398 11.5400 k = 0.1034 0.0975-0.0118 ( 1765 PWs) bands (ev): -25.3637 -25.3637 -13.6058 -13.6058 -8.9565 -8.9550 -8.7082 -8.7076 -8.6606 -8.6583 -1.0541 -1.0540 0.5599 0.5600 0.6223 0.6224 1.0809 1.0812 7.2317 7.2325 7.5468 7.5468 10.4464 10.4465 11.5428 11.5431 k = 0.1121 0.1056-0.0127 ( 1765 PWs) bands (ev): -25.3629 -25.3629 -13.6047 -13.6047 -8.9587 -8.9571 -8.7106 -8.7098 -8.6622 -8.6596 -1.0783 -1.0782 0.5579 0.5581 0.6055 0.6057 1.1096 1.1099 7.2704 7.2713 7.5906 7.5906 10.4113 10.4114 11.5466 11.5469 k = 0.1207 0.1138-0.0137 ( 1767 PWs) bands (ev): -25.3620 -25.3620 -13.6035 -13.6034 -8.9611 -8.9595 -8.7132 -8.7123 -8.6637 -8.6608 -1.1029 -1.1028 0.5561 0.5562 0.5880 0.5882 1.1387 1.1390 7.3113 7.3122 7.6369 7.6369 10.3727 10.3728 11.5511 11.5514 k = 0.1293 0.1219-0.0147 ( 1771 PWs) bands (ev): -25.3611 -25.3611 -13.6021 -13.6021 -8.9637 -8.9620 -8.7161 -8.7150 -8.6652 -8.6621 -1.1277 -1.1276 0.5539 0.5540 0.5700 0.5705 1.1679 1.1682 7.3541 7.3550 7.6855 7.6856 10.3309 10.3311 11.5565 11.5568 k = 0.1379 0.1300-0.0157 ( 1774 PWs) bands (ev): -25.3602 -25.3602 -13.6006 -13.6006 -8.9666 -8.9648 -8.7193 -8.7181 -8.6667 -8.6634 -1.1524 -1.1523 0.5464 0.5470 0.5564 0.5574 1.1971 1.1973 7.3985 7.3995 7.7362 7.7363 10.2865 10.2867 11.5629 11.5632 k = 0.1466 0.1381-0.0167 ( 1775 PWs) bands (ev): -25.3592 -25.3592 -13.5990 -13.5990 -8.9697 -8.9678 -8.7228 -8.7214 -8.6682 -8.6646 -1.1770 -1.1769 0.5287 0.5290 0.5535 0.5543 1.2260 1.2262 7.4443 7.4452 7.7888 7.7889 10.2398 10.2401 11.5704 11.5708 k = 0.1552 0.1463-0.0176 ( 1776 PWs) bands (ev): -25.3581 -25.3581 -13.5973 -13.5973 -8.9731 -8.9711 -8.7266 -8.7251 -8.6696 -8.6657 -1.2011 -1.2010 0.5087 0.5089 0.5524 0.5532 1.2544 1.2547 7.4909 7.4920 7.8430 7.8431 10.1916 10.1919 11.5792 11.5797 k = 0.1638 0.1544-0.0186 ( 1776 PWs) bands (ev): -25.3571 -25.3571 -13.5955 -13.5954 -8.9766 -8.9746 -8.7307 -8.7291 -8.6708 -8.6668 -1.2248 -1.2247 0.4880 0.4881 0.5518 0.5525 1.2822 1.2825 7.5381 7.5392 7.8986 7.8987 10.1425 10.1428 11.5895 11.5899 k = 0.1724 0.1625-0.0196 ( 1778 PWs) bands (ev): -25.3559 -25.3559 -13.5935 -13.5934 -8.9805 -8.9783 -8.7352 -8.7335 -8.6720 -8.6678 -1.2478 -1.2477 0.4668 0.4669 0.5514 0.5522 1.3093 1.3095 7.5854 7.5864 7.9553 7.9554 10.0931 10.0935 11.6013 11.6017 k = 0.1810 0.1706-0.0206 ( 1781 PWs) bands (ev): -25.3548 -25.3548 -13.5914 -13.5913 -8.9845 -8.9823 -8.7400 -8.7382 -8.6731 -8.6688 -1.2700 -1.2699 0.4453 0.4453 0.5514 0.5522 1.3354 1.3356 7.6322 7.6333 8.0129 8.0129 10.0445 10.0449 11.6148 11.6153 k = 0.1897 0.1788-0.0216 ( 1781 PWs) bands (ev): -25.3536 -25.3536 -13.5891 -13.5891 -8.9888 -8.9866 -8.7451 -8.7432 -8.6740 -8.6696 -1.2914 -1.2913 0.4235 0.4236 0.5517 0.5525 1.3604 1.3606 7.6780 7.6791 8.0710 8.0710 9.9973 9.9978 11.6301 11.6307 k = 0.1983 0.1869-0.0225 ( 1780 PWs) bands (ev): -25.3524 -25.3524 -13.5868 -13.5867 -8.9933 -8.9910 -8.7505 -8.7487 -8.6748 -8.6703 -1.3118 -1.3117 0.4016 0.4016 0.5523 0.5532 1.3843 1.3845 7.7221 7.7231 8.1294 8.1295 9.9525 9.9530 11.6475 11.6481 k = 0.2069 0.1950-0.0235 ( 1778 PWs) bands (ev): -25.3512 -25.3512 -13.5843 -13.5842 -8.9980 -8.9957 -8.7562 -8.7544 -8.6755 -8.6709 -1.3312 -1.3311 0.3796 0.3796 0.5532 0.5541 1.4069 1.4071 7.7638 7.7648 8.1879 8.1880 9.9111 9.9116 11.6671 11.6677 k = 0.2155 0.2031-0.0245 ( 1776 PWs) bands (ev): -25.3500 -25.3500 -13.5816 -13.5816 -9.0029 -9.0006 -8.7623 -8.7605 -8.6761 -8.6715 -1.3495 -1.3494 0.3576 0.3576 0.5545 0.5554 1.4281 1.4283 7.8023 7.8033 8.2462 8.2463 9.8739 9.8744 11.6890 11.6896 k = 0.2241 0.2113-0.0255 ( 1772 PWs) bands (ev): -25.3487 -25.3487 -13.5789 -13.5788 -9.0081 -9.0057 -8.7686 -8.7668 -8.6765 -8.6719 -1.3666 -1.3665 0.3357 0.3357 0.5560 0.5570 1.4480 1.4481 7.8368 7.8378 8.3040 8.3041 9.8419 9.8424 11.7134 11.7140 k = 0.2328 0.2194-0.0265 ( 1772 PWs) bands (ev): -25.3474 -25.3474 -13.5760 -13.5760 -9.0134 -9.0110 -8.7752 -8.7735 -8.6768 -8.6722 -1.3826 -1.3825 0.3139 0.3139 0.5579 0.5589 1.4663 1.4665 7.8667 7.8676 8.3610 8.3611 9.8161 9.8165 11.7404 11.7411 k = 0.2414 0.2275-0.0274 ( 1774 PWs) bands (ev): -25.3462 -25.3462 -13.5730 -13.5730 -9.0189 -9.0164 -8.7821 -8.7805 -8.6770 -8.6725 -1.3973 -1.3972 0.2923 0.2923 0.5601 0.5610 1.4831 1.4832 7.8911 7.8919 8.4170 8.4171 9.7971 9.7975 11.7702 11.7709 k = 0.2500 0.2356-0.0284 ( 1770 PWs) bands (ev): -25.3449 -25.3449 -13.5700 -13.5699 -9.0245 -9.0220 -8.7892 -8.7876 -8.6771 -8.6726 -1.4108 -1.4107 0.2710 0.2710 0.5625 0.5635 1.4983 1.4985 7.9094 7.9101 8.4718 8.4719 9.7858 9.7862 11.8028 11.8036 k = 0.2586 0.2438-0.0294 ( 1771 PWs) bands (ev): -25.3436 -25.3436 -13.5668 -13.5667 -9.0303 -9.0278 -8.7966 -8.7951 -8.6771 -8.6727 -1.4231 -1.4230 0.2499 0.2499 0.5653 0.5663 1.5120 1.5122 7.9213 7.9219 8.5250 8.5251 9.7826 9.7829 11.8385 11.8393 k = 0.2672 0.2519-0.0304 ( 1773 PWs) bands (ev): -25.3424 -25.3424 -13.5635 -13.5635 -9.0362 -9.0337 -8.8041 -8.8027 -8.6770 -8.6727 -1.4342 -1.4340 0.2292 0.2292 0.5683 0.5694 1.5241 1.5242 7.9264 7.9269 8.5766 8.5767 9.7877 9.7879 11.8772 11.8780 k = 0.2759 0.2600-0.0314 ( 1769 PWs) bands (ev): -25.3411 -25.3411 -13.5602 -13.5601 -9.0421 -9.0397 -8.8118 -8.8104 -8.6768 -8.6726 -1.4439 -1.4438 0.2090 0.2090 0.5717 0.5727 1.5347 1.5348 7.9249 7.9253 8.6264 8.6265 9.8010 9.8011 11.9190 11.9199 k = 0.2845 0.2681-0.0323 ( 1770 PWs) bands (ev): -25.3399 -25.3399 -13.5568 -13.5567 -9.0482 -9.0458 -8.8196 -8.8183 -8.6765 -8.6725 -1.4525 -1.4524 0.1891 0.1892 0.5752 0.5763 1.5437 1.5438 7.9170 7.9173 8.6740 8.6741 9.8223 9.8224 11.9639 11.9648 k = 0.2931 0.2763-0.0333 ( 1768 PWs) bands (ev): -25.3386 -25.3386 -13.5533 -13.5532 -9.0543 -9.0519 -8.8275 -8.8263 -8.6762 -8.6723 -1.4600 -1.4598 0.1698 0.1698 0.5790 0.5801 1.5512 1.5513 7.9032 7.9034 8.7196 8.7197 9.8510 9.8510 12.0119 12.0129 k = 0.3017 0.2844-0.0343 ( 1768 PWs) bands (ev): -25.3374 -25.3374 -13.5498 -13.5497 -9.0605 -9.0581 -8.8354 -8.8344 -8.6759 -8.6720 -1.4662 -1.4661 0.1510 0.1510 0.5830 0.5841 1.5573 1.5574 7.8841 7.8842 8.7628 8.7629 9.8863 9.8864 12.0630 12.0640 k = 0.3103 0.2925-0.0353 ( 1774 PWs) bands (ev): -25.3363 -25.3363 -13.5463 -13.5462 -9.0667 -9.0644 -8.8434 -8.8424 -8.6754 -8.6717 -1.4715 -1.4713 0.1328 0.1328 0.5871 0.5882 1.5621 1.5621 7.8605 7.8605 8.8036 8.8037 9.9274 9.9276 12.1170 12.1181 k = 0.3190 0.3006-0.0363 ( 1776 PWs) bands (ev): -25.3351 -25.3351 -13.5427 -13.5427 -9.0729 -9.0706 -8.8513 -8.8505 -8.6750 -8.6714 -1.4756 -1.4755 0.1151 0.1151 0.5915 0.5926 1.5655 1.5655 7.8331 7.8332 8.8420 8.8421 9.9734 9.9737 12.1738 12.1749 k = 0.3276 0.3088-0.0372 ( 1772 PWs) bands (ev): -25.3340 -25.3340 -13.5391 -13.5391 -9.0790 -9.0768 -8.8592 -8.8585 -8.6745 -8.6711 -1.4788 -1.4787 0.0982 0.0982 0.5959 0.5970 1.5677 1.5678 7.8029 7.8030 8.8779 8.8780 10.0234 10.0237 12.2331 12.2344 k = 0.3362 0.3169-0.0382 ( 1768 PWs) bands (ev): -25.3329 -25.3329 -13.5356 -13.5356 -9.0851 -9.0829 -8.8670 -8.8663 -8.6739 -8.6707 -1.4810 -1.4809 0.0818 0.0818 0.6005 0.6016 1.5688 1.5689 7.7704 7.7706 8.9115 8.9116 10.0765 10.0769 12.2869 12.2880 k = 0.3448 0.3250-0.0392 ( 1766 PWs) bands (ev): -25.3318 -25.3318 -13.5321 -13.5321 -9.0911 -9.0890 -8.8746 -8.8741 -8.6734 -8.6703 -1.4825 -1.4824 0.0662 0.0662 0.6051 0.6061 1.5689 1.5689 7.7364 7.7367 8.9425 8.9426 10.1318 10.1322 12.2517 12.2525 k = 0.3534 0.3331-0.0402 ( 1768 PWs) bands (ev): -25.3308 -25.3308 -13.5287 -13.5287 -9.0970 -9.0949 -8.8821 -8.8816 -8.6728 -8.6699 -1.4831 -1.4830 0.0513 0.0513 0.6097 0.6107 1.5681 1.5681 7.7016 7.7019 8.9712 8.9713 10.1885 10.1888 12.2061 12.2069 k = 0.3621 0.3413-0.0412 ( 1766 PWs) bands (ev): -25.3299 -25.3299 -13.5253 -13.5253 -9.1028 -9.1008 -8.8894 -8.8890 -8.6722 -8.6694 -1.4831 -1.4830 0.0371 0.0371 0.6143 0.6153 1.5664 1.5665 7.6664 7.6668 8.9976 8.9977 10.2457 10.2461 12.1578 12.1584 k = 0.3707 0.3494-0.0421 ( 1763 PWs) bands (ev): -25.3289 -25.3289 -13.5220 -13.5220 -9.1083 -9.1064 -8.8964 -8.8960 -8.6716 -8.6690 -1.4825 -1.4824 0.0237 0.0237 0.6188 0.6198 1.5641 1.5642 7.6315 7.6319 9.0217 9.0218 10.3027 10.3031 12.1093 12.1099 k = 0.3793 0.3575-0.0431 ( 1765 PWs) bands (ev): -25.3281 -25.3281 -13.5189 -13.5188 -9.1138 -9.1119 -8.9031 -8.9028 -8.6711 -8.6686 -1.4814 -1.4813 0.0111 0.0111 0.6233 0.6242 1.5612 1.5613 7.5971 7.5975 9.0436 9.0437 10.3589 10.3593 12.0624 12.0629 k = 0.3879 0.3656-0.0441 ( 1763 PWs) bands (ev): -25.3272 -25.3272 -13.5158 -13.5158 -9.1189 -9.1172 -8.9095 -8.9093 -8.6705 -8.6682 -1.4798 -1.4797 -0.0007 -0.0007 0.6276 0.6285 1.5579 1.5579 7.5638 7.5642 9.0635 9.0636 10.4135 10.4139 12.0178 12.0182 k = 0.3966 0.3738-0.0451 ( 1764 PWs) bands (ev): -25.3264 -25.3264 -13.5129 -13.5129 -9.1239 -9.1223 -8.9156 -8.9154 -8.6700 -8.6679 -1.4779 -1.4778 -0.0118 -0.0117 0.6317 0.6326 1.5542 1.5543 7.5319 7.5323 9.0814 9.0815 10.4660 10.4664 11.9760 11.9764 k = 0.4052 0.3819-0.0461 ( 1763 PWs) bands (ev): -25.3257 -25.3257 -13.5102 -13.5102 -9.1285 -9.1270 -8.9213 -8.9211 -8.6694 -8.6675 -1.4758 -1.4757 -0.0219 -0.0219 0.6357 0.6366 1.5503 1.5504 7.5015 7.5019 9.0974 9.0975 10.5159 10.5163 11.9376 11.9379 k = 0.4138 0.3900-0.0470 ( 1765 PWs) bands (ev): -25.3251 -25.3251 -13.5076 -13.5076 -9.1329 -9.1315 -8.9265 -8.9264 -8.6689 -8.6672 -1.4735 -1.4734 -0.0312 -0.0312 0.6395 0.6403 1.5463 1.5464 7.4731 7.4735 9.1117 9.1117 10.5626 10.5629 11.9026 11.9029 k = 0.4224 0.3981-0.0480 ( 1763 PWs) bands (ev): -25.3244 -25.3244 -13.5052 -13.5052 -9.1369 -9.1357 -8.9314 -8.9313 -8.6685 -8.6669 -1.4711 -1.4710 -0.0397 -0.0397 0.6430 0.6437 1.5424 1.5424 7.4468 7.4471 9.1242 9.1243 10.6056 10.6060 11.8714 11.8716 k = 0.4310 0.4063-0.0490 ( 1764 PWs) bands (ev): -25.3239 -25.3239 -13.5030 -13.5030 -9.1406 -9.1395 -8.9358 -8.9357 -8.6680 -8.6666 -1.4687 -1.4687 -0.0473 -0.0473 0.6462 0.6469 1.5385 1.5386 7.4228 7.4231 9.1352 9.1352 10.6447 10.6450 11.8438 11.8441 k = 0.4397 0.4144-0.0500 ( 1762 PWs) bands (ev): -25.3234 -25.3234 -13.5011 -13.5011 -9.1439 -9.1429 -8.9397 -8.9397 -8.6676 -8.6664 -1.4664 -1.4664 -0.0541 -0.0541 0.6491 0.6497 1.5349 1.5349 7.4012 7.4015 9.1446 9.1447 10.6795 10.6797 11.8201 11.8203 k = 0.4483 0.4225-0.0510 ( 1762 PWs) bands (ev): -25.3230 -25.3230 -13.4994 -13.4994 -9.1468 -9.1459 -8.9431 -8.9431 -8.6672 -8.6662 -1.4643 -1.4642 -0.0599 -0.0599 0.6517 0.6522 1.5315 1.5316 7.3823 7.3825 9.1527 9.1527 10.7097 10.7100 11.8000 11.8002 k = 0.4569 0.4306-0.0519 ( 1758 PWs) bands (ev): -25.3226 -25.3226 -13.4979 -13.4979 -9.1493 -9.1485 -8.9460 -8.9460 -8.6669 -8.6660 -1.4623 -1.4623 -0.0649 -0.0649 0.6539 0.6543 1.5286 1.5287 7.3661 7.3663 9.1594 9.1594 10.7354 10.7356 11.7835 11.7837 k = 0.4655 0.4388-0.0529 ( 1754 PWs) bands (ev): -25.3223 -25.3223 -13.4967 -13.4967 -9.1513 -9.1507 -8.9484 -8.9484 -8.6666 -8.6659 -1.4607 -1.4606 -0.0689 -0.0689 0.6557 0.6561 1.5261 1.5261 7.3527 7.3529 9.1648 9.1648 10.7564 10.7565 11.7704 11.7705 k = 0.4741 0.4469-0.0539 ( 1755 PWs) bands (ev): -25.3221 -25.3221 -13.4957 -13.4957 -9.1529 -9.1524 -8.9503 -8.9503 -8.6664 -8.6658 -1.4594 -1.4593 -0.0721 -0.0721 0.6572 0.6575 1.5241 1.5241 7.3422 7.3423 9.1689 9.1689 10.7726 10.7727 11.7605 11.7606 k = 0.4828 0.4550-0.0549 ( 1759 PWs) bands (ev): -25.3219 -25.3219 -13.4950 -13.4950 -9.1540 -9.1537 -8.9517 -8.9517 -8.6662 -8.6658 -1.4584 -1.4584 -0.0744 -0.0744 0.6583 0.6584 1.5226 1.5226 7.3347 7.3348 9.1718 9.1718 10.7841 10.7842 11.7536 11.7537 k = 0.4914 0.4631-0.0559 ( 1758 PWs) bands (ev): -25.3218 -25.3218 -13.4946 -13.4946 -9.1547 -9.1545 -8.9525 -8.9525 -8.6660 -8.6658 -1.4578 -1.4578 -0.0757 -0.0757 0.6589 0.6590 1.5217 1.5217 7.3302 7.3302 9.1736 9.1736 10.7910 10.7911 11.7496 11.7496 k = 0.5000 0.4713-0.0569 ( 1754 PWs) bands (ev): -25.3218 -25.3218 -13.4945 -13.4945 -9.1548 -9.1548 -8.9528 -8.9528 -8.6659 -8.6659 -1.4576 -1.4576 -0.0762 -0.0762 0.6592 0.6592 1.5214 1.5214 7.3287 7.3287 9.1742 9.1742 10.7934 10.7934 11.7482 11.7482 k = 0.5000 0.4713-0.0569 ( 1754 PWs) bands (ev): -25.3218 -25.3218 -13.4945 -13.4945 -9.1548 -9.1548 -8.9528 -8.9528 -8.6659 -8.6659 -1.4576 -1.4576 -0.0762 -0.0762 0.6592 0.6592 1.5214 1.5214 7.3287 7.3287 9.1742 9.1742 10.7934 10.7934 11.7482 11.7482 k = 0.5007 0.4719-0.0450 ( 1758 PWs) bands (ev): -25.3217 -25.3217 -13.4944 -13.4944 -9.1549 -9.1546 -8.9526 -8.9526 -8.6664 -8.6661 -1.4584 -1.4583 -0.0764 -0.0764 0.6558 0.6561 1.5243 1.5246 7.3311 7.3313 9.1737 9.1737 10.7956 10.7956 11.7478 11.7478 k = 0.5014 0.4726-0.0331 ( 1758 PWs) bands (ev): -25.3216 -25.3216 -13.4941 -13.4940 -9.1548 -9.1543 -8.9523 -8.9523 -8.6677 -8.6672 -1.4608 -1.4605 -0.0769 -0.0769 0.6461 0.6467 1.5332 1.5337 7.3387 7.3391 9.1722 9.1722 10.8023 10.8024 11.7465 11.7465 k = 0.5021 0.4733-0.0212 ( 1760 PWs) bands (ev): -25.3215 -25.3215 -13.4935 -13.4935 -9.1545 -9.1538 -8.9517 -8.9517 -8.6698 -8.6690 -1.4648 -1.4643 -0.0777 -0.0777 0.6307 0.6315 1.5475 1.5482 7.3513 7.3520 9.1698 9.1698 10.8135 10.8137 11.7443 11.7444 k = 0.5029 0.4740-0.0093 ( 1757 PWs) bands (ev): -25.3212 -25.3212 -13.4928 -13.4928 -9.1541 -9.1531 -8.9509 -8.9509 -8.6726 -8.6715 -1.4702 -1.4695 -0.0788 -0.0788 0.6100 0.6110 1.5666 1.5674 7.3690 7.3699 9.1665 9.1665 10.8291 10.8294 11.7414 11.7415 k = 0.5036 0.4746 0.0026 ( 1757 PWs) bands (ev): -25.3210 -25.3210 -13.4918 -13.4918 -9.1535 -9.1524 -8.9499 -8.9499 -8.6761 -8.6748 -1.4771 -1.4763 -0.0803 -0.0803 0.5850 0.5862 1.5898 1.5908 7.3917 7.3928 9.1622 9.1622 10.8492 10.8495 11.7379 11.7380 k = 0.5043 0.4753 0.0145 ( 1757 PWs) bands (ev): -25.3206 -25.3206 -13.4907 -13.4907 -9.1529 -9.1515 -8.9486 -8.9486 -8.6804 -8.6787 -1.4855 -1.4846 -0.0821 -0.0821 0.5565 0.5578 1.6162 1.6173 7.4192 7.4205 9.1571 9.1571 10.8736 10.8740 11.7339 11.7341 k = 0.5050 0.4760 0.0264 ( 1755 PWs) bands (ev): -25.3202 -25.3202 -13.4894 -13.4894 -9.1521 -9.1504 -8.9471 -8.9471 -8.6853 -8.6834 -1.4954 -1.4943 -0.0842 -0.0842 0.5252 0.5266 1.6451 1.6463 7.4515 7.4530 9.1512 9.1512 10.9023 10.9028 11.7296 11.7298 k = 0.5057 0.4767 0.0383 ( 1753 PWs) bands (ev): -25.3197 -25.3197 -13.4878 -13.4878 -9.1512 -9.1493 -8.9455 -8.9455 -8.6908 -8.6887 -1.5066 -1.5054 -0.0866 -0.0866 0.4918 0.4933 1.6760 1.6772 7.4883 7.4900 9.1445 9.1445 10.9353 10.9357 11.7251 11.7255 k = 0.5064 0.4773 0.0502 ( 1750 PWs) bands (ev): -25.3192 -25.3192 -13.4861 -13.4861 -9.1501 -9.1480 -8.9436 -8.9436 -8.6970 -8.6945 -1.5191 -1.5178 -0.0892 -0.0892 0.4568 0.4584 1.7081 1.7093 7.5296 7.5314 9.1371 9.1371 10.9723 10.9727 11.7208 11.7213 k = 0.5072 0.4780 0.0621 ( 1751 PWs) bands (ev): -25.3186 -25.3186 -13.4843 -13.4843 -9.1490 -9.1467 -8.9415 -8.9415 -8.7037 -8.7010 -1.5330 -1.5316 -0.0922 -0.0922 0.4208 0.4224 1.7410 1.7422 7.5751 7.5771 9.1290 9.1290 11.0133 11.0137 11.7170 11.7175 k = 0.5079 0.4787 0.0740 ( 1749 PWs) bands (ev): -25.3180 -25.3180 -13.4822 -13.4822 -9.1479 -9.1453 -8.9393 -8.9393 -8.7109 -8.7080 -1.5481 -1.5466 -0.0954 -0.0954 0.3843 0.3859 1.7743 1.7755 7.6247 7.6268 9.1203 9.1203 11.0581 11.0583 11.7138 11.7146 k = 0.5086 0.4794 0.0859 ( 1751 PWs) bands (ev): -25.3173 -25.3173 -13.4801 -13.4801 -9.1466 -9.1438 -8.9369 -8.9369 -8.7186 -8.7154 -1.5643 -1.5627 -0.0988 -0.0988 0.3475 0.3491 1.8076 1.8088 7.6780 7.6803 9.1110 9.1110 11.1063 11.1063 11.7119 11.7129 k = 0.5093 0.4800 0.0978 ( 1747 PWs) bands (ev): -25.3166 -25.3166 -13.4778 -13.4777 -9.1453 -9.1423 -8.9344 -8.9343 -8.7266 -8.7232 -1.5816 -1.5800 -0.1025 -0.1024 0.3109 0.3125 1.8408 1.8419 7.7350 7.7374 9.1013 9.1013 11.1574 11.1576 11.7115 11.7129 k = 0.5100 0.4807 0.1097 ( 1747 PWs) bands (ev): -25.3158 -25.3158 -13.4753 -13.4753 -9.1440 -9.1408 -8.9317 -8.9316 -8.7351 -8.7314 -1.5999 -1.5982 -0.1063 -0.1063 0.2746 0.2761 1.8734 1.8745 7.7952 7.7977 9.0912 9.0912 11.2110 11.2116 11.7135 11.7153 k = 0.5107 0.4814 0.1216 ( 1741 PWs) bands (ev): -25.3150 -25.3150 -13.4728 -13.4727 -9.1427 -9.1393 -8.9289 -8.9288 -8.7437 -8.7398 -1.6190 -1.6173 -0.1103 -0.1103 0.2388 0.2403 1.9054 1.9065 7.8586 7.8611 9.0808 9.0808 11.2663 11.2674 11.7186 11.7210 k = 0.5115 0.4821 0.1335 ( 1742 PWs) bands (ev): -25.3142 -25.3142 -13.4701 -13.4701 -9.1414 -9.1378 -8.9259 -8.9258 -8.7527 -8.7485 -1.6390 -1.6372 -0.1145 -0.1145 0.2038 0.2052 1.9366 1.9376 7.9246 7.9272 9.0701 9.0701 11.3221 11.3240 11.7280 11.7312 k = 0.5122 0.4827 0.1454 ( 1740 PWs) bands (ev): -25.3134 -25.3134 -13.4674 -13.4674 -9.1402 -9.1363 -8.9229 -8.9228 -8.7617 -8.7573 -1.6596 -1.6579 -0.1188 -0.1188 0.1697 0.1710 1.9668 1.9678 7.9930 7.9957 9.0593 9.0593 11.3769 11.3797 11.7434 11.7476 k = 0.5129 0.4834 0.1573 ( 1744 PWs) bands (ev): -25.3125 -25.3125 -13.4646 -13.4646 -9.1390 -9.1350 -8.9198 -8.9197 -8.7709 -8.7663 -1.6808 -1.6791 -0.1233 -0.1233 0.1365 0.1378 1.9960 1.9968 8.0635 8.0662 9.0483 9.0483 11.4286 11.4325 11.7670 11.7724 k = 0.5136 0.4841 0.1692 ( 1742 PWs) bands (ev): -25.3116 -25.3116 -13.4617 -13.4617 -9.1378 -9.1337 -8.9167 -8.9165 -8.7800 -8.7752 -1.7024 -1.7007 -0.1278 -0.1278 0.1045 0.1057 2.0240 2.0248 8.1357 8.1384 9.0373 9.0373 11.4751 11.4802 11.8011 11.8077 k = 0.5143 0.4848 0.1811 ( 1743 PWs) bands (ev): -25.3107 -25.3107 -13.4589 -13.4588 -9.1368 -9.1325 -8.9135 -8.9133 -8.7891 -8.7842 -1.7243 -1.7226 -0.1324 -0.1324 0.0737 0.0748 2.0508 2.0515 8.2092 8.2120 9.0262 9.0262 11.5150 11.5210 11.8472 11.8548 k = 0.5150 0.4854 0.1930 ( 1741 PWs) bands (ev): -25.3099 -25.3099 -13.4559 -13.4559 -9.1359 -9.1314 -8.9103 -8.9101 -8.7981 -8.7930 -1.7464 -1.7448 -0.1371 -0.1371 0.0441 0.0451 2.0763 2.0770 8.2838 8.2865 9.0153 9.0153 11.5485 11.5551 11.9053 11.9137 k = 0.5158 0.4861 0.2049 ( 1743 PWs) bands (ev): -25.3090 -25.3090 -13.4530 -13.4530 -9.1351 -9.1305 -8.9071 -8.9068 -8.8069 -8.8016 -1.7686 -1.7670 -0.1417 -0.1417 0.0157 0.0167 2.1005 2.1011 8.3588 8.3615 9.0045 9.0045 11.5769 11.5838 11.9739 11.9828 k = 0.5165 0.4868 0.2168 ( 1745 PWs) bands (ev): -25.3081 -25.3081 -13.4501 -13.4501 -9.1345 -9.1298 -8.9039 -8.9036 -8.8155 -8.8101 -1.7907 -1.7891 -0.1464 -0.1464 -0.0113 -0.0104 2.1233 2.1238 8.4341 8.4367 8.9939 8.9939 11.6022 11.6093 12.0508 12.0599 k = 0.5172 0.4875 0.2287 ( 1745 PWs) bands (ev): -25.3072 -25.3072 -13.4473 -13.4472 -9.1340 -9.1293 -8.9007 -8.9004 -8.8237 -8.8182 -1.8126 -1.8110 -0.1510 -0.1510 -0.0369 -0.0361 2.1447 2.1452 8.5091 8.5116 8.9835 8.9835 11.6261 11.6333 12.1339 12.1432 k = 0.5179 0.4881 0.2406 ( 1751 PWs) bands (ev): -25.3064 -25.3064 -13.4444 -13.4444 -9.1337 -9.1290 -8.8976 -8.8972 -8.8316 -8.8260 -1.8341 -1.8326 -0.1556 -0.1556 -0.0612 -0.0605 2.1648 2.1652 8.5833 8.5858 8.9734 8.9734 11.6500 11.6572 12.2214 12.2311 k = 0.5186 0.4888 0.2525 ( 1749 PWs) bands (ev): -25.3055 -25.3055 -13.4417 -13.4416 -9.1335 -9.1288 -8.8946 -8.8941 -8.8390 -8.8334 -1.8551 -1.8537 -0.1601 -0.1601 -0.0841 -0.0835 2.1834 2.1838 8.6565 8.6588 8.9636 8.9636 11.6746 11.6818 12.3077 12.3122 k = 0.5193 0.4895 0.2644 ( 1749 PWs) bands (ev): -25.3047 -25.3047 -13.4390 -13.4389 -9.1335 -9.1289 -8.8917 -8.8912 -8.8460 -8.8404 -1.8755 -1.8742 -0.1645 -0.1644 -0.1056 -0.1050 2.2006 2.2009 8.7281 8.7303 8.9542 8.9543 11.7006 11.7079 12.2772 12.2776 k = 0.5201 0.4902 0.2763 ( 1749 PWs) bands (ev): -25.3039 -25.3039 -13.4363 -13.4363 -9.1337 -9.1292 -8.8890 -8.8883 -8.8524 -8.8469 -1.8952 -1.8940 -0.1688 -0.1687 -0.1257 -0.1252 2.2164 2.2167 8.7976 8.7997 8.9454 8.9454 11.7285 11.7358 12.2442 12.2445 k = 0.5208 0.4908 0.2882 ( 1751 PWs) bands (ev): -25.3031 -25.3031 -13.4338 -13.4338 -9.1341 -9.1297 -8.8864 -8.8857 -8.8583 -8.8527 -1.9141 -1.9129 -0.1729 -0.1728 -0.1443 -0.1439 2.2307 2.2310 8.8643 8.8663 8.9373 8.9374 11.7584 11.7658 12.2131 12.2134 k = 0.5215 0.4915 0.3001 ( 1752 PWs) bands (ev): -25.3024 -25.3024 -13.4315 -13.4314 -9.1345 -9.1304 -8.8842 -8.8833 -8.8634 -8.8580 -1.9320 -1.9310 -0.1772 -0.1770 -0.1613 -0.1610 2.2437 2.2440 8.9197 8.9210 8.9383 8.9388 11.7905 11.7979 12.1841 12.1843 k = 0.5222 0.4922 0.3120 ( 1748 PWs) bands (ev): -25.3017 -25.3017 -13.4292 -13.4292 -9.1351 -9.1312 -8.8825 -8.8815 -8.8676 -8.8624 -1.9489 -1.9479 -0.1827 -0.1821 -0.1755 -0.1753 2.2553 2.2555 8.9190 8.9192 8.9926 8.9941 11.8248 11.8323 12.1572 12.1575 k = 0.5229 0.4929 0.3239 ( 1748 PWs) bands (ev): -25.3011 -25.3011 -13.4271 -13.4271 -9.1358 -9.1321 -8.8815 -8.8808 -8.8703 -8.8657 -1.9646 -1.9637 -0.1939 -0.1933 -0.1823 -0.1821 2.2655 2.2657 8.9123 8.9124 9.0499 9.0513 11.8612 11.8687 12.1326 12.1329 k = 0.5236 0.4935 0.3358 ( 1744 PWs) bands (ev): -25.3005 -25.3005 -13.4251 -13.4251 -9.1365 -9.1331 -8.8819 -8.8817 -8.8709 -8.8674 -1.9791 -1.9782 -0.2066 -0.2061 -0.1859 -0.1858 2.2744 2.2745 8.9058 8.9059 9.1038 9.1050 11.8996 11.9072 12.1104 12.1106 k = 0.5244 0.4942 0.3477 ( 1744 PWs) bands (ev): -25.2999 -25.2999 -13.4234 -13.4233 -9.1373 -9.1342 -8.8840 -8.8830 -8.8700 -8.8678 -1.9922 -1.9915 -0.2183 -0.2179 -0.1889 -0.1888 2.2819 2.2820 8.8997 8.8997 9.1535 9.1546 11.9397 11.9473 12.0905 12.0908 k = 0.5251 0.4949 0.3596 ( 1744 PWs) bands (ev): -25.2994 -25.2994 -13.4218 -13.4217 -9.1380 -9.1354 -8.8864 -8.8851 -8.8687 -8.8672 -2.0039 -2.0033 -0.2288 -0.2284 -0.1915 -0.1914 2.2881 2.2882 8.8941 8.8941 9.1989 9.1999 11.9812 11.9888 12.0732 12.0735 k = 0.5258 0.4956 0.3714 ( 1746 PWs) bands (ev): -25.2990 -25.2990 -13.4204 -13.4203 -9.1388 -9.1365 -8.8886 -8.8872 -8.8672 -8.8662 -2.0142 -2.0137 -0.2380 -0.2376 -0.1938 -0.1937 2.2930 2.2931 8.8889 8.8889 9.2396 9.2404 12.0236 12.0312 12.0584 12.0589 k = 0.5265 0.4962 0.3833 ( 1746 PWs) bands (ev): -25.2987 -25.2987 -13.4192 -13.4191 -9.1394 -9.1375 -8.8905 -8.8892 -8.8658 -8.8651 -2.0229 -2.0225 -0.2458 -0.2455 -0.1957 -0.1957 2.2966 2.2967 8.8843 8.8843 9.2754 9.2761 12.0456 12.0458 12.0677 12.0744 k = 0.5272 0.4969 0.3952 ( 1747 PWs) bands (ev): -25.2984 -25.2984 -13.4182 -13.4182 -9.1399 -9.1385 -8.8920 -8.8910 -8.8646 -8.8641 -2.0301 -2.0298 -0.2523 -0.2521 -0.1973 -0.1973 2.2990 2.2991 8.8803 8.8803 9.3061 9.3067 12.0363 12.0364 12.1102 12.1169 k = 0.5272 0.4969 0.3952 ( 1747 PWs) bands (ev): -25.2984 -25.2984 -13.4182 -13.4182 -9.1399 -9.1385 -8.8920 -8.8910 -8.8646 -8.8641 -2.0301 -2.0298 -0.2523 -0.2521 -0.1973 -0.1973 2.2990 2.2991 8.8803 8.8803 9.3061 9.3067 12.0363 12.0364 12.1102 12.1169 k = 0.5227 0.4926 0.4047 ( 1747 PWs) bands (ev): -25.2981 -25.2981 -13.4172 -13.4172 -9.1403 -9.1392 -8.8929 -8.8920 -8.8641 -8.8638 -2.0362 -2.0360 -0.2580 -0.2578 -0.2003 -0.2003 2.3006 2.3007 8.8798 8.8798 9.3298 9.3303 12.0330 12.0331 12.1669 12.1736 k = 0.5181 0.4884 0.4142 ( 1745 PWs) bands (ev): -25.2978 -25.2978 -13.4165 -13.4165 -9.1407 -9.1397 -8.8935 -8.8928 -8.8638 -8.8635 -2.0413 -2.0410 -0.2626 -0.2625 -0.2028 -0.2028 2.3019 2.3019 8.8794 8.8794 9.3496 9.3500 12.0303 12.0304 12.2201 12.2264 k = 0.5136 0.4841 0.4237 ( 1743 PWs) bands (ev): -25.2976 -25.2976 -13.4159 -13.4159 -9.1409 -9.1402 -8.8941 -8.8935 -8.8635 -8.8633 -2.0452 -2.0450 -0.2663 -0.2662 -0.2047 -0.2047 2.3029 2.3029 8.8790 8.8791 9.3654 9.3657 12.0282 12.0283 12.2675 12.2730 k = 0.5091 0.4798 0.4331 ( 1744 PWs) bands (ev): -25.2975 -25.2975 -13.4155 -13.4155 -9.1410 -9.1405 -8.8944 -8.8940 -8.8632 -8.8631 -2.0480 -2.0479 -0.2689 -0.2688 -0.2061 -0.2061 2.3036 2.3036 8.8788 8.8788 9.3767 9.3769 12.0267 12.0267 12.3062 12.3104 k = 0.5045 0.4755 0.4426 ( 1746 PWs) bands (ev): -25.2974 -25.2974 -13.4152 -13.4152 -9.1411 -9.1408 -8.8946 -8.8944 -8.8631 -8.8630 -2.0497 -2.0496 -0.2705 -0.2705 -0.2070 -0.2070 2.3040 2.3040 8.8786 8.8786 9.3836 9.3837 12.0258 12.0258 12.3325 12.3348 k = 0.5000 0.4713 0.4521 ( 1742 PWs) bands (ev): -25.2974 -25.2974 -13.4151 -13.4151 -9.1410 -9.1410 -8.8945 -8.8945 -8.8630 -8.8630 -2.0502 -2.0502 -0.2710 -0.2710 -0.2072 -0.2072 2.3042 2.3042 8.8786 8.8786 9.3860 9.3860 12.0255 12.0255 12.3426 12.3426 k = 0.5000 0.4713 0.4521 ( 1742 PWs) bands (ev): -25.2974 -25.2974 -13.4151 -13.4151 -9.1410 -9.1410 -8.8945 -8.8945 -8.8630 -8.8630 -2.0502 -2.0502 -0.2710 -0.2710 -0.2072 -0.2072 2.3042 2.3042 8.8786 8.8786 9.3860 9.3860 12.0255 12.0255 12.3426 12.3426 k = 0.5077 0.4631 0.4521 ( 1740 PWs) bands (ev): -25.2974 -25.2974 -13.4152 -13.4152 -9.1412 -9.1408 -8.8948 -8.8944 -8.8629 -8.8628 -2.0498 -2.0497 -0.2709 -0.2704 -0.2068 -0.2064 2.3040 2.3041 8.8764 8.8764 9.3861 9.3861 12.0186 12.0202 12.3433 12.3444 k = 0.5153 0.4550 0.4521 ( 1744 PWs) bands (ev): -25.2975 -25.2975 -13.4154 -13.4154 -9.1413 -9.1406 -8.8951 -8.8943 -8.8627 -8.8625 -2.0485 -2.0483 -0.2704 -0.2693 -0.2050 -0.2042 2.3037 2.3038 8.8699 8.8700 9.3862 9.3863 12.0003 12.0033 12.3462 12.3482 k = 0.5230 0.4469 0.4521 ( 1740 PWs) bands (ev): -25.2976 -25.2976 -13.4158 -13.4158 -9.1415 -9.1404 -8.8955 -8.8942 -8.8623 -8.8619 -2.0462 -2.0459 -0.2692 -0.2677 -0.2019 -0.2007 2.3031 2.3033 8.8593 8.8594 9.3865 9.3867 11.9721 11.9762 12.3502 12.3529 k = 0.5306 0.4387 0.4521 ( 1744 PWs) bands (ev): -25.2978 -25.2978 -13.4163 -13.4163 -9.1416 -9.1402 -8.8960 -8.8943 -8.8616 -8.8612 -2.0430 -2.0426 -0.2674 -0.2655 -0.1976 -0.1960 2.3022 2.3025 8.8445 8.8446 9.3869 9.3872 11.9358 11.9407 12.3543 12.3574 k = 0.5383 0.4306 0.4521 ( 1746 PWs) bands (ev): -25.2980 -25.2980 -13.4169 -13.4169 -9.1417 -9.1400 -8.8965 -8.8944 -8.8608 -8.8602 -2.0390 -2.0385 -0.2650 -0.2628 -0.1919 -0.1901 2.3011 2.3014 8.8258 8.8260 9.3875 9.3878 11.8931 11.8986 12.3576 12.3609 k = 0.5460 0.4225 0.4521 ( 1748 PWs) bands (ev): -25.2982 -25.2982 -13.4177 -13.4177 -9.1418 -9.1398 -8.8970 -8.8945 -8.8597 -8.8591 -2.0340 -2.0335 -0.2620 -0.2594 -0.1851 -0.1831 2.2998 2.3002 8.8035 8.8037 9.3882 9.3886 11.8454 11.8511 12.3594 12.3629 k = 0.5536 0.4144 0.4521 ( 1748 PWs) bands (ev): -25.2985 -25.2985 -13.4186 -13.4186 -9.1419 -9.1396 -8.8976 -8.8947 -8.8585 -8.8577 -2.0283 -2.0276 -0.2584 -0.2556 -0.1771 -0.1749 2.2982 2.2986 8.7778 8.7781 9.3891 9.3895 11.7938 11.7997 12.3597 12.3632 k = 0.4464-0.4736 0.5089 ( 1748 PWs) bands (ev): -25.2985 -25.2985 -13.4186 -13.4186 -9.1419 -9.1396 -8.8976 -8.8947 -8.8585 -8.8577 -2.0283 -2.0276 -0.2584 -0.2556 -0.1771 -0.1749 2.2982 2.2986 8.7778 8.7781 9.3891 9.3895 11.7938 11.7997 12.3597 12.3632 k = 0.4383-0.4650 0.5089 ( 1744 PWs) bands (ev): -25.2989 -25.2989 -13.4198 -13.4198 -9.1420 -9.1394 -8.8983 -8.8950 -8.8569 -8.8560 -2.0213 -2.0205 -0.2538 -0.2508 -0.1674 -0.1650 2.2962 2.2967 8.7472 8.7476 9.3903 9.3907 11.7359 11.7420 12.3580 12.3615 k = 0.4301-0.4564 0.5089 ( 1742 PWs) bands (ev): -25.2993 -25.2993 -13.4211 -13.4211 -9.1420 -9.1391 -8.8989 -8.8952 -8.8551 -8.8541 -2.0134 -2.0126 -0.2486 -0.2454 -0.1565 -0.1541 2.2939 2.2944 8.7136 8.7140 9.3916 9.3921 11.6757 11.6817 12.3543 12.3579 k = 0.4220-0.4478 0.5089 ( 1746 PWs) bands (ev): -25.2998 -25.2998 -13.4226 -13.4225 -9.1421 -9.1389 -8.8996 -8.8955 -8.8530 -8.8520 -2.0047 -2.0038 -0.2427 -0.2395 -0.1445 -0.1420 2.2913 2.2918 8.6773 8.6777 9.3931 9.3937 11.6138 11.6198 12.3487 12.3524 k = 0.4139-0.4392 0.5089 ( 1748 PWs) bands (ev): -25.3003 -25.3003 -13.4242 -13.4242 -9.1421 -9.1386 -8.9002 -8.8958 -8.8507 -8.8496 -1.9953 -1.9943 -0.2362 -0.2329 -0.1314 -0.1289 2.2883 2.2889 8.6387 8.6391 9.3947 9.3954 11.5509 11.5568 12.3412 12.3450 k = 0.4058-0.4306 0.5089 ( 1754 PWs) bands (ev): -25.3009 -25.3009 -13.4260 -13.4260 -9.1420 -9.1383 -8.9008 -8.8961 -8.8481 -8.8470 -1.9852 -1.9841 -0.2292 -0.2258 -0.1174 -0.1148 2.2849 2.2855 8.5983 8.5987 9.3966 9.3973 11.4877 11.4934 12.3318 12.3357 k = 0.3977-0.4219 0.5089 ( 1748 PWs) bands (ev): -25.3015 -25.3015 -13.4279 -13.4279 -9.1420 -9.1380 -8.9013 -8.8963 -8.8453 -8.8441 -1.9744 -1.9733 -0.2215 -0.2182 -0.1023 -0.0998 2.2811 2.2818 8.5565 8.5570 9.3987 9.3994 11.4245 11.4300 12.3204 12.3246 k = 0.3896-0.4133 0.5089 ( 1750 PWs) bands (ev): -25.3022 -25.3022 -13.4300 -13.4300 -9.1419 -9.1377 -8.9017 -8.8964 -8.8422 -8.8409 -1.9631 -1.9619 -0.2134 -0.2101 -0.0864 -0.0839 2.2768 2.2776 8.5138 8.5143 9.4009 9.4017 11.3618 11.3671 12.3069 12.3114 k = 0.3814-0.4047 0.5089 ( 1752 PWs) bands (ev): -25.3029 -25.3029 -13.4323 -13.4323 -9.1417 -9.1374 -8.9019 -8.8965 -8.8389 -8.8376 -1.9513 -1.9500 -0.2048 -0.2016 -0.0697 -0.0671 2.2721 2.2729 8.4705 8.4711 9.4032 9.4041 11.3000 11.3051 12.2911 12.2960 k = 0.3733-0.3961 0.5089 ( 1752 PWs) bands (ev): -25.3036 -25.3036 -13.4347 -13.4347 -9.1415 -9.1371 -8.9020 -8.8964 -8.8354 -8.8340 -1.9391 -1.9378 -0.1959 -0.1927 -0.0521 -0.0496 2.2670 2.2677 8.4270 8.4276 9.4056 9.4065 11.2394 11.2444 12.2726 12.2780 k = 0.3652-0.3875 0.5089 ( 1752 PWs) bands (ev): -25.3044 -25.3044 -13.4373 -13.4372 -9.1412 -9.1367 -8.9020 -8.8962 -8.8316 -8.8301 -1.9266 -1.9252 -0.1866 -0.1834 -0.0339 -0.0313 2.2613 2.2621 8.3838 8.3844 9.4080 9.4090 11.1805 11.1853 12.2510 12.2569 k = 0.3571-0.3789 0.5089 ( 1752 PWs) bands (ev): -25.3052 -25.3052 -13.4400 -13.4400 -9.1409 -9.1363 -8.9018 -8.8959 -8.8275 -8.8261 -1.9139 -1.9124 -0.1769 -0.1739 -0.0149 -0.0124 2.2550 2.2559 8.3411 8.3418 9.4104 9.4114 11.1236 11.1281 12.2259 12.2325 k = 0.3490-0.3703 0.5089 ( 1752 PWs) bands (ev): -25.3060 -25.3060 -13.4428 -13.4428 -9.1405 -9.1358 -8.9013 -8.8954 -8.8232 -8.8218 -1.9010 -1.8994 -0.1671 -0.1641 0.0046 0.0072 2.2483 2.2491 8.2993 8.3000 9.4126 9.4136 11.0689 11.0732 12.1972 12.2042 k = 0.3409-0.3617 0.5089 ( 1750 PWs) bands (ev): -25.3069 -25.3069 -13.4459 -13.4458 -9.1401 -9.1353 -8.9006 -8.8947 -8.8187 -8.8172 -1.8881 -1.8865 -0.1570 -0.1541 0.0247 0.0273 2.2409 2.2418 8.2587 8.2595 9.4146 9.4156 11.0168 11.0209 12.1647 12.1722 k = 0.3328-0.3531 0.5089 ( 1756 PWs) bands (ev): -25.3078 -25.3078 -13.4490 -13.4490 -9.1395 -9.1348 -8.8997 -8.8938 -8.8140 -8.8125 -1.8752 -1.8735 -0.1468 -0.1440 0.0452 0.0478 2.2329 2.2338 8.2196 8.2204 9.4162 9.4172 10.9676 10.9714 12.1288 12.1365 k = 0.3246-0.3444 0.5089 ( 1754 PWs) bands (ev): -25.3088 -25.3088 -13.4523 -13.4523 -9.1389 -9.1342 -8.8985 -8.8927 -8.8091 -8.8075 -1.8624 -1.8608 -0.1364 -0.1337 0.0663 0.0689 2.2244 2.2253 8.1822 8.1830 9.4172 9.4183 10.9215 10.9251 12.0901 12.0978 k = 0.3165-0.3358 0.5089 ( 1752 PWs) bands (ev): -25.3097 -25.3097 -13.4557 -13.4557 -9.1381 -9.1335 -8.8971 -8.8913 -8.8039 -8.8024 -1.8499 -1.8482 -0.1259 -0.1234 0.0878 0.0904 2.2152 2.2160 8.1467 8.1476 9.4176 9.4187 10.8789 10.8822 12.0491 12.0567 k = 0.3084-0.3272 0.5089 ( 1752 PWs) bands (ev): -25.3107 -25.3107 -13.4593 -13.4592 -9.1372 -9.1327 -8.8954 -8.8897 -8.7986 -8.7971 -1.8378 -1.8360 -0.1154 -0.1129 0.1095 0.1121 2.2053 2.2062 8.1133 8.1144 9.4171 9.4182 10.8399 10.8430 12.0065 12.0139 k = 0.3003-0.3186 0.5089 ( 1750 PWs) bands (ev): -25.3117 -25.3117 -13.4629 -13.4629 -9.1363 -9.1319 -8.8933 -8.8878 -8.7931 -8.7916 -1.8261 -1.8243 -0.1048 -0.1025 0.1316 0.1342 2.1948 2.1957 8.0823 8.0834 9.4156 9.4167 10.8047 10.8077 11.9628 11.9699 k = 0.2922-0.3100 0.5089 ( 1752 PWs) bands (ev): -25.3128 -25.3128 -13.4667 -13.4667 -9.1352 -9.1309 -8.8910 -8.8857 -8.7875 -8.7859 -1.8149 -1.8131 -0.0942 -0.0920 0.1539 0.1565 2.1837 2.1845 8.0537 8.0548 9.4129 9.4140 10.7737 10.7764 11.9186 11.9254 k = 0.2841-0.3014 0.5089 ( 1752 PWs) bands (ev): -25.3138 -25.3138 -13.4706 -13.4706 -9.1340 -9.1299 -8.8884 -8.8832 -8.7817 -8.7801 -1.8044 -1.8025 -0.0835 -0.0814 0.1764 0.1790 2.1719 2.1727 8.0276 8.0288 9.4088 9.4100 10.7468 10.7493 11.8744 11.8808 k = 0.2759-0.2928 0.5089 ( 1754 PWs) bands (ev): -25.3149 -25.3149 -13.4746 -13.4745 -9.1327 -9.1287 -8.8856 -8.8806 -8.7757 -8.7742 -1.7945 -1.7927 -0.0729 -0.0709 0.1990 0.2016 2.1594 2.1603 8.0041 8.0055 9.4032 9.4044 10.7242 10.7265 11.8304 11.8365 k = 0.2678-0.2842 0.5089 ( 1754 PWs) bands (ev): -25.3160 -25.3160 -13.4786 -13.4786 -9.1312 -9.1275 -8.8824 -8.8776 -8.7697 -8.7682 -1.7855 -1.7836 -0.0622 -0.0604 0.2217 0.2243 2.1464 2.1472 7.9833 7.9848 9.3961 9.3973 10.7058 10.7078 11.7872 11.7929 k = 0.2597-0.2756 0.5089 ( 1758 PWs) bands (ev): -25.3170 -25.3170 -13.4828 -13.4827 -9.1296 -9.1261 -8.8789 -8.8744 -8.7635 -8.7620 -1.7773 -1.7755 -0.0515 -0.0498 0.2445 0.2470 2.1327 2.1335 7.9652 7.9667 9.3873 9.3885 10.6915 10.6933 11.7450 11.7504 k = 0.2516-0.2669 0.5089 ( 1760 PWs) bands (ev): -25.3181 -25.3181 -13.4870 -13.4869 -9.1279 -9.1246 -8.8752 -8.8709 -8.7573 -8.7558 -1.7701 -1.7682 -0.0409 -0.0392 0.2673 0.2697 2.1185 2.1192 7.9497 7.9513 9.3770 9.3782 10.6812 10.6827 11.7044 11.7093 k = 0.2435-0.2583 0.5089 ( 1760 PWs) bands (ev): -25.3192 -25.3192 -13.4912 -13.4912 -9.1261 -9.1230 -8.8712 -8.8672 -8.7510 -8.7495 -1.7638 -1.7620 -0.0301 -0.0286 0.2900 0.2925 2.1037 2.1044 7.9369 7.9386 9.3650 9.3662 10.6743 10.6756 11.6656 11.6702 k = 0.2354-0.2497 0.5089 ( 1764 PWs) bands (ev): -25.3203 -25.3203 -13.4955 -13.4955 -9.1242 -9.1213 -8.8670 -8.8632 -8.7447 -8.7432 -1.7586 -1.7568 -0.0194 -0.0180 0.3127 0.3151 2.0883 2.0890 7.9266 7.9284 9.3515 9.3527 10.6706 10.6717 11.6291 11.6333 k = 0.2272-0.2411 0.5089 ( 1764 PWs) bands (ev): -25.3214 -25.3214 -13.4999 -13.4998 -9.1221 -9.1194 -8.8625 -8.8590 -8.7383 -8.7368 -1.7545 -1.7527 -0.0086 -0.0073 0.3353 0.3375 2.0725 2.0731 7.9189 7.9208 9.3366 9.3378 10.6694 10.6702 11.5953 11.5991 k = 0.2191-0.2325 0.5089 ( 1764 PWs) bands (ev): -25.3225 -25.3225 -13.5042 -13.5042 -9.1199 -9.1175 -8.8578 -8.8545 -8.7319 -8.7304 -1.7514 -1.7497 0.0022 0.0035 0.3576 0.3599 2.0563 2.0569 7.9136 7.9155 9.3204 9.3216 10.6700 10.6706 11.5648 11.5682 k = 0.2110-0.2239 0.5089 ( 1764 PWs) bands (ev): -25.3236 -25.3236 -13.5086 -13.5085 -9.1176 -9.1154 -8.8529 -8.8499 -8.7255 -8.7240 -1.7495 -1.7477 0.0131 0.0143 0.3798 0.3820 2.0397 2.0403 7.9106 7.9126 9.3032 9.3044 10.6718 10.6721 11.5380 11.5409 k = 0.2029-0.2153 0.5089 ( 1764 PWs) bands (ev): -25.3247 -25.3247 -13.5129 -13.5129 -9.1153 -9.1133 -8.8479 -8.8451 -8.7191 -8.7176 -1.7486 -1.7469 0.0241 0.0251 0.4017 0.4038 2.0228 2.0234 7.9097 7.9118 9.2851 9.2863 10.6737 10.6739 11.5153 11.5179 k = 0.1948-0.2067 0.5089 ( 1762 PWs) bands (ev): -25.3257 -25.3257 -13.5172 -13.5172 -9.1128 -9.1110 -8.8427 -8.8401 -8.7127 -8.7113 -1.7488 -1.7472 0.0351 0.0360 0.4233 0.4253 2.0056 2.0062 7.9108 7.9130 9.2663 9.2676 10.6751 10.6751 11.4972 11.4994 k = 0.1867-0.1981 0.5089 ( 1758 PWs) bands (ev): -25.3267 -25.3267 -13.5215 -13.5215 -9.1102 -9.1086 -8.8374 -8.8350 -8.7064 -8.7050 -1.7501 -1.7485 0.0461 0.0469 0.4446 0.4466 1.9883 1.9888 7.9138 7.9160 9.2470 9.2482 10.6749 10.6752 11.4840 11.4858 k = 0.1786-0.1894 0.5089 ( 1756 PWs) bands (ev): -25.3277 -25.3277 -13.5258 -13.5257 -9.1076 -9.1062 -8.8320 -8.8298 -8.7002 -8.6988 -1.7524 -1.7508 0.0571 0.0579 0.4655 0.4674 1.9709 1.9714 7.9184 7.9207 9.2273 9.2285 10.6727 10.6732 11.4757 11.4770 k = 0.1704-0.1808 0.5089 ( 1756 PWs) bands (ev): -25.3287 -25.3287 -13.5299 -13.5299 -9.1050 -9.1038 -8.8265 -8.8246 -8.6941 -8.6927 -1.7555 -1.7541 0.0681 0.0688 0.4860 0.4878 1.9534 1.9539 7.9246 7.9269 9.2074 9.2087 10.6681 10.6687 11.4720 11.4730 k = 0.1623-0.1722 0.5089 ( 1756 PWs) bands (ev): -25.3297 -25.3297 -13.5340 -13.5340 -9.1023 -9.1013 -8.8211 -8.8193 -8.6881 -8.6867 -1.7596 -1.7582 0.0791 0.0797 0.5060 0.5077 1.9359 1.9364 7.9321 7.9344 9.1875 9.1887 10.6607 10.6615 11.4724 11.4731 k = 0.1542-0.1636 0.5089 ( 1752 PWs) bands (ev): -25.3306 -25.3306 -13.5380 -13.5380 -9.0996 -9.0987 -8.8156 -8.8140 -8.6822 -8.6808 -1.7644 -1.7631 0.0900 0.0906 0.5255 0.5271 1.9186 1.9191 7.9408 7.9431 9.1677 9.1689 10.6507 10.6515 11.4761 11.4764 k = 0.1461-0.1550 0.5089 ( 1752 PWs) bands (ev): -25.3315 -25.3315 -13.5419 -13.5419 -9.0969 -9.0961 -8.8102 -8.8087 -8.6764 -8.6751 -1.7700 -1.7687 0.1007 0.1013 0.5444 0.5460 1.9015 1.9020 7.9504 7.9527 9.1481 9.1493 10.6381 10.6390 11.4816 11.4818 k = 0.1380-0.1464 0.5089 ( 1756 PWs) bands (ev): -25.3324 -25.3324 -13.5457 -13.5456 -9.0943 -9.0936 -8.8049 -8.8035 -8.6709 -8.6696 -1.7761 -1.7748 0.1114 0.1119 0.5627 0.5642 1.8846 1.8851 7.9608 7.9631 9.1288 9.1299 10.6234 10.6243 11.4878 11.4881 k = 0.1299-0.1378 0.5089 ( 1758 PWs) bands (ev): -25.3332 -25.3332 -13.5493 -13.5493 -9.0916 -9.0911 -8.7996 -8.7984 -8.6655 -8.6643 -1.7827 -1.7815 0.1217 0.1222 0.5804 0.5818 1.8682 1.8686 7.9718 7.9741 9.1100 9.1111 10.6069 10.6079 11.4934 11.4939 k = 0.1217-0.1292 0.5089 ( 1756 PWs) bands (ev): -25.3340 -25.3340 -13.5528 -13.5528 -9.0890 -9.0886 -8.7945 -8.7934 -8.6603 -8.6591 -1.7896 -1.7885 0.1319 0.1324 0.5973 0.5987 1.8522 1.8526 7.9832 7.9855 9.0917 9.0927 10.5892 10.5901 11.4975 11.4981 k = 0.1136-0.1206 0.5089 ( 1762 PWs) bands (ev): -25.3348 -25.3348 -13.5562 -13.5561 -9.0865 -9.0862 -8.7896 -8.7886 -8.6553 -8.6542 -1.7968 -1.7958 0.1417 0.1422 0.6135 0.6148 1.8367 1.8371 7.9949 7.9972 9.0739 9.0750 10.5706 10.5715 11.4994 11.5001 k = 0.1055-0.1119 0.5089 ( 1762 PWs) bands (ev): -25.3355 -25.3355 -13.5593 -13.5593 -9.0841 -9.0838 -8.7849 -8.7839 -8.6506 -8.6495 -1.8041 -1.8032 0.1512 0.1516 0.6288 0.6301 1.8218 1.8222 8.0067 8.0089 9.0569 9.0579 10.5517 10.5525 11.4990 11.4997 k = 0.0974-0.1033 0.5089 ( 1762 PWs) bands (ev): -25.3362 -25.3362 -13.5623 -13.5623 -9.0818 -9.0815 -8.7803 -8.7795 -8.6461 -8.6451 -1.8114 -1.8106 0.1603 0.1607 0.6433 0.6445 1.8077 1.8081 8.0184 8.0205 9.0407 9.0417 10.5328 10.5336 11.4963 11.4970 k = 0.0893-0.0947 0.5089 ( 1764 PWs) bands (ev): -25.3368 -25.3368 -13.5651 -13.5650 -9.0796 -9.0794 -8.7761 -8.7753 -8.6419 -8.6410 -1.8187 -1.8179 0.1689 0.1692 0.6569 0.6580 1.7943 1.7947 8.0299 8.0319 9.0254 9.0263 10.5143 10.5150 11.4918 11.4924 k = 0.0812-0.0861 0.5089 ( 1766 PWs) bands (ev): -25.3374 -25.3374 -13.5677 -13.5676 -9.0775 -9.0773 -8.7721 -8.7714 -8.6380 -8.6372 -1.8257 -1.8250 0.1769 0.1773 0.6695 0.6705 1.7818 1.7821 8.0410 8.0429 9.0110 9.0118 10.4965 10.4972 11.4859 11.4865 k = 0.0730-0.0775 0.5089 ( 1768 PWs) bands (ev): -25.3380 -25.3380 -13.5700 -13.5700 -9.0756 -9.0754 -8.7684 -8.7678 -8.6345 -8.6336 -1.8324 -1.8317 0.1844 0.1847 0.6811 0.6820 1.7702 1.7705 8.0516 8.0533 8.9977 8.9984 10.4797 10.4803 11.4791 11.4796 k = 0.0649-0.0689 0.5089 ( 1772 PWs) bands (ev): -25.3385 -25.3385 -13.5722 -13.5721 -9.0738 -9.0737 -8.7651 -8.7645 -8.6312 -8.6305 -1.8387 -1.8381 0.1912 0.1915 0.6916 0.6924 1.7596 1.7599 8.0614 8.0630 8.9855 8.9862 10.4640 10.4645 11.4720 11.4724 k = 0.0568-0.0603 0.5089 ( 1774 PWs) bands (ev): -25.3389 -25.3389 -13.5741 -13.5741 -9.0723 -9.0721 -8.7620 -8.7615 -8.6283 -8.6276 -1.8445 -1.8440 0.1974 0.1977 0.7010 0.7017 1.7501 1.7504 8.0706 8.0720 8.9745 8.9751 10.4498 10.4502 11.4648 11.4652 k = 0.0487-0.0517 0.5089 ( 1774 PWs) bands (ev): -25.3393 -25.3393 -13.5758 -13.5758 -9.0709 -9.0707 -8.7594 -8.7589 -8.6257 -8.6251 -1.8496 -1.8492 0.2028 0.2031 0.7092 0.7099 1.7418 1.7420 8.0788 8.0800 8.9648 8.9653 10.4371 10.4375 11.4580 11.4584 k = 0.0406-0.0431 0.5089 ( 1776 PWs) bands (ev): -25.3396 -25.3396 -13.5772 -13.5772 -9.0697 -9.0695 -8.7571 -8.7567 -8.6235 -8.6230 -1.8541 -1.8538 0.2075 0.2077 0.7163 0.7168 1.7346 1.7348 8.0859 8.0870 8.9564 8.9569 10.4261 10.4264 11.4519 11.4521 k = 0.0325-0.0344 0.5089 ( 1778 PWs) bands (ev): -25.3398 -25.3398 -13.5784 -13.5783 -9.0687 -9.0686 -8.7552 -8.7549 -8.6217 -8.6213 -1.8579 -1.8576 0.2114 0.2115 0.7222 0.7226 1.7287 1.7289 8.0919 8.0928 8.9495 8.9498 10.4170 10.4172 11.4466 11.4468 k = 0.0243-0.0258 0.5089 ( 1780 PWs) bands (ev): -25.3401 -25.3401 -13.5793 -13.5793 -9.0679 -9.0678 -8.7537 -8.7535 -8.6202 -8.6199 -1.8609 -1.8607 0.2144 0.2146 0.7268 0.7271 1.7241 1.7242 8.0967 8.0974 8.9440 8.9443 10.4098 10.4100 11.4423 11.4424 k = 0.0162-0.0172 0.5089 ( 1780 PWs) bands (ev): -25.3402 -25.3402 -13.5799 -13.5799 -9.0673 -9.0672 -8.7526 -8.7525 -8.6192 -8.6190 -1.8630 -1.8629 0.2166 0.2167 0.7301 0.7303 1.7207 1.7208 8.1003 8.1007 8.9401 8.9403 10.4046 10.4048 11.4392 11.4393 k = 0.0081-0.0086 0.5089 ( 1782 PWs) bands (ev): -25.3403 -25.3403 -13.5803 -13.5803 -9.0670 -9.0669 -8.7519 -8.7519 -8.6185 -8.6184 -1.8643 -1.8643 0.2180 0.2180 0.7321 0.7322 1.7187 1.7188 8.1024 8.1027 8.9377 8.9378 10.4015 10.4016 11.4373 11.4373 k = 0.0000 0.0000 0.5089 ( 1784 PWs) bands (ev): -25.3403 -25.3403 -13.5805 -13.5805 -9.0668 -9.0668 -8.7517 -8.7517 -8.6183 -8.6183 -1.8648 -1.8648 0.2184 0.2184 0.7328 0.7328 1.7180 1.7180 8.1033 8.1033 8.9369 8.9369 10.4005 10.4005 11.4366 11.4366 k = 0.0000 0.0000 0.5089 ( 1784 PWs) bands (ev): -25.3403 -25.3403 -13.5805 -13.5805 -9.0668 -9.0668 -8.7517 -8.7517 -8.6183 -8.6183 -1.8648 -1.8648 0.2184 0.2184 0.7328 0.7328 1.7180 1.7180 8.1033 8.1033 8.9369 8.9369 10.4005 10.4005 11.4366 11.4366 k = 0.0088 0.0083 0.5089 ( 1781 PWs) bands (ev): -25.3403 -25.3403 -13.5803 -13.5803 -9.0670 -9.0669 -8.7519 -8.7518 -8.6185 -8.6185 -1.8642 -1.8642 0.2180 0.2181 0.7320 0.7320 1.7181 1.7182 8.1036 8.1036 8.9368 8.9369 10.4028 10.4028 11.4364 11.4364 k = 0.0175 0.0165 0.5089 ( 1777 PWs) bands (ev): -25.3402 -25.3402 -13.5799 -13.5799 -9.0673 -9.0671 -8.7525 -8.7523 -8.6193 -8.6192 -1.8626 -1.8626 0.2168 0.2170 0.7295 0.7295 1.7185 1.7185 8.1045 8.1046 8.9364 8.9365 10.4097 10.4097 11.4357 11.4358 k = 0.0263 0.0248 0.5089 ( 1778 PWs) bands (ev): -25.3400 -25.3400 -13.5792 -13.5792 -9.0679 -9.0675 -8.7534 -8.7531 -8.6205 -8.6204 -1.8600 -1.8599 0.2149 0.2152 0.7253 0.7253 1.7190 1.7191 8.1061 8.1062 8.9358 8.9359 10.4211 10.4212 11.4346 11.4347 k = 0.0350 0.0330 0.5089 ( 1776 PWs) bands (ev): -25.3398 -25.3398 -13.5782 -13.5782 -9.0686 -9.0681 -8.7547 -8.7543 -8.6222 -8.6221 -1.8564 -1.8563 0.2122 0.2125 0.7195 0.7195 1.7198 1.7199 8.1084 8.1084 8.9349 8.9351 10.4371 10.4372 11.4330 11.4332 k = 0.0438 0.0413 0.5089 ( 1777 PWs) bands (ev): -25.3395 -25.3395 -13.5770 -13.5770 -9.0696 -9.0690 -8.7564 -8.7558 -8.6245 -8.6243 -1.8518 -1.8517 0.2087 0.2091 0.7121 0.7121 1.7209 1.7210 8.1114 8.1114 8.9338 8.9341 10.4574 10.4576 11.4310 11.4312 k = 0.0525 0.0495 0.5089 ( 1778 PWs) bands (ev): -25.3391 -25.3391 -13.5755 -13.5754 -9.0707 -9.0699 -8.7583 -8.7576 -8.6271 -8.6270 -1.8463 -1.8462 0.2044 0.2050 0.7031 0.7031 1.7223 1.7224 8.1150 8.1151 8.9326 8.9329 10.4821 10.4824 11.4285 11.4288 k = 0.0613 0.0578 0.5089 ( 1774 PWs) bands (ev): -25.3387 -25.3387 -13.5737 -13.5737 -9.0719 -9.0711 -8.7606 -8.7598 -8.6302 -8.6300 -1.8401 -1.8399 0.1994 0.2000 0.6926 0.6926 1.7241 1.7241 8.1195 8.1195 8.9312 8.9315 10.5111 10.5113 11.4256 11.4258 k = 0.0700 0.0660 0.5089 ( 1772 PWs) bands (ev): -25.3382 -25.3382 -13.5716 -13.5716 -9.0734 -9.0724 -8.7632 -8.7622 -8.6338 -8.6335 -1.8330 -1.8328 0.1936 0.1944 0.6806 0.6806 1.7263 1.7263 8.1246 8.1247 8.9297 8.9301 10.5440 10.5444 11.4221 11.4225 k = 0.0788 0.0743 0.5089 ( 1770 PWs) bands (ev): -25.3377 -25.3377 -13.5694 -13.5693 -9.0750 -9.0739 -8.7661 -8.7650 -8.6377 -8.6375 -1.8254 -1.8252 0.1871 0.1879 0.6672 0.6672 1.7289 1.7290 8.1306 8.1307 8.9282 8.9286 10.5809 10.5813 11.4182 11.4186 k = 0.0876 0.0825 0.5089 ( 1768 PWs) bands (ev): -25.3371 -25.3371 -13.5668 -13.5668 -9.0767 -9.0754 -8.7693 -8.7681 -8.6420 -8.6417 -1.8173 -1.8170 0.1798 0.1807 0.6524 0.6524 1.7321 1.7321 8.1374 8.1375 8.9266 8.9270 10.6216 10.6220 11.4138 11.4142 k = 0.0963 0.0908 0.5089 ( 1763 PWs) bands (ev): -25.3364 -25.3364 -13.5641 -13.5640 -9.0785 -9.0772 -8.7727 -8.7714 -8.6467 -8.6464 -1.8087 -1.8084 0.1718 0.1728 0.6363 0.6363 1.7359 1.7359 8.1450 8.1451 8.9251 8.9255 10.6657 10.6662 11.4089 11.4094 k = 0.1051 0.0990 0.5089 ( 1765 PWs) bands (ev): -25.3357 -25.3357 -13.5611 -13.5611 -9.0805 -9.0790 -8.7764 -8.7750 -8.6517 -8.6514 -1.7999 -1.7996 0.1631 0.1642 0.6190 0.6190 1.7402 1.7402 8.1535 8.1536 8.9236 8.9241 10.7132 10.7137 11.4036 11.4042 k = 0.1138 0.1073 0.5089 ( 1767 PWs) bands (ev): -25.3350 -25.3350 -13.5580 -13.5579 -9.0825 -9.0809 -8.7804 -8.7788 -8.6570 -8.6567 -1.7910 -1.7907 0.1537 0.1549 0.6005 0.6005 1.7452 1.7452 8.1629 8.1630 8.9224 8.9228 10.7639 10.7644 11.3979 11.3986 k = 0.1226 0.1155 0.5089 ( 1767 PWs) bands (ev): -25.3342 -25.3342 -13.5546 -13.5545 -9.0847 -9.0829 -8.7846 -8.7828 -8.6626 -8.6623 -1.7821 -1.7818 0.1437 0.1450 0.5809 0.5809 1.7509 1.7509 8.1732 8.1733 8.9214 8.9218 10.8174 10.8180 11.3919 11.3926 k = 0.1313 0.1238 0.5089 ( 1769 PWs) bands (ev): -25.3334 -25.3334 -13.5510 -13.5510 -9.0869 -9.0850 -8.7890 -8.7871 -8.6685 -8.6682 -1.7734 -1.7731 0.1331 0.1345 0.5604 0.5604 1.7573 1.7574 8.1844 8.1845 8.9207 8.9211 10.8735 10.8741 11.3856 11.3864 k = 0.1401 0.1320 0.5089 ( 1769 PWs) bands (ev): -25.3325 -25.3325 -13.5473 -13.5473 -9.0891 -9.0871 -8.7935 -8.7914 -8.6746 -8.6742 -1.7650 -1.7647 0.1220 0.1235 0.5389 0.5389 1.7646 1.7647 8.1966 8.1967 8.9204 8.9208 10.9319 10.9326 11.3791 11.3800 k = 0.1488 0.1403 0.5089 ( 1769 PWs) bands (ev): -25.3315 -25.3315 -13.5434 -13.5434 -9.0914 -9.0893 -8.7982 -8.7960 -8.6808 -8.6805 -1.7571 -1.7568 0.1105 0.1120 0.5167 0.5167 1.7727 1.7728 8.2096 8.2098 8.9206 8.9209 10.9924 10.9932 11.3725 11.3735 k = 0.1576 0.1485 0.5089 ( 1767 PWs) bands (ev): -25.3306 -25.3306 -13.5394 -13.5394 -9.0937 -9.0915 -8.8030 -8.8006 -8.6873 -8.6870 -1.7498 -1.7495 0.0985 0.1002 0.4936 0.4936 1.7816 1.7818 8.2236 8.2238 8.9214 8.9217 11.0547 11.0555 11.3660 11.3671 k = 0.1663 0.1568 0.5089 ( 1771 PWs) bands (ev): -25.3296 -25.3296 -13.5353 -13.5352 -9.0960 -9.0936 -8.8079 -8.8054 -8.6939 -8.6936 -1.7433 -1.7430 0.0863 0.0879 0.4699 0.4700 1.7914 1.7916 8.2385 8.2387 8.9228 8.9230 11.1183 11.1192 11.3596 11.3608 k = 0.1751 0.1650 0.5089 ( 1773 PWs) bands (ev): -25.3285 -25.3285 -13.5310 -13.5310 -9.0983 -9.0958 -8.8129 -8.8103 -8.7006 -8.7003 -1.7378 -1.7374 0.0738 0.0755 0.4457 0.4457 1.8020 1.8023 8.2543 8.2544 8.9249 8.9251 11.1828 11.1838 11.3536 11.3548 k = 0.1839 0.1733 0.5089 ( 1773 PWs) bands (ev): -25.3275 -25.3275 -13.5267 -13.5266 -9.1006 -9.0980 -8.8179 -8.8151 -8.7074 -8.7071 -1.7332 -1.7329 0.0611 0.0629 0.4210 0.4210 1.8135 1.8139 8.2710 8.2711 8.9279 8.9280 11.2480 11.2490 11.3480 11.3492 k = 0.1926 0.1815 0.5089 ( 1771 PWs) bands (ev): -25.3264 -25.3264 -13.5223 -13.5222 -9.1029 -9.1001 -8.8229 -8.8200 -8.7142 -8.7139 -1.7298 -1.7295 0.0484 0.0502 0.3958 0.3959 1.8259 1.8263 8.2885 8.2886 8.9317 8.9317 11.3131 11.3143 11.3431 11.3444 k = 0.2014 0.1898 0.5089 ( 1771 PWs) bands (ev): -25.3253 -25.3253 -13.5178 -13.5177 -9.1051 -9.1022 -8.8279 -8.8249 -8.7211 -8.7209 -1.7277 -1.7274 0.0356 0.0374 0.3704 0.3704 1.8391 1.8395 8.3068 8.3069 8.9364 8.9364 11.3384 11.3398 11.3784 11.3795 k = 0.2101 0.1980 0.5089 ( 1767 PWs) bands (ev): -25.3241 -25.3241 -13.5132 -13.5132 -9.1072 -9.1043 -8.8329 -8.8297 -8.7280 -8.7278 -1.7269 -1.7266 0.0228 0.0247 0.3448 0.3448 1.8532 1.8537 8.3259 8.3260 8.9420 8.9421 11.3352 11.3366 11.4422 11.4435 k = 0.2189 0.2063 0.5089 ( 1767 PWs) bands (ev): -25.3230 -25.3230 -13.5086 -13.5086 -9.1093 -9.1063 -8.8378 -8.8345 -8.7349 -8.7347 -1.7276 -1.7273 0.0102 0.0120 0.3191 0.3191 1.8681 1.8686 8.3457 8.3459 8.9486 8.9488 11.3329 11.3343 11.5045 11.5059 k = 0.2276 0.2145 0.5089 ( 1767 PWs) bands (ev): -25.3218 -25.3218 -13.5041 -13.5040 -9.1114 -9.1082 -8.8426 -8.8392 -8.7418 -8.7416 -1.7296 -1.7294 -0.0024 -0.0005 0.2932 0.2932 1.8838 1.8842 8.3662 8.3663 8.9563 8.9565 11.3320 11.3333 11.5647 11.5661 k = 0.2364 0.2228 0.5089 ( 1767 PWs) bands (ev): -25.3207 -25.3207 -13.4995 -13.4994 -9.1133 -9.1101 -8.8473 -8.8438 -8.7487 -8.7485 -1.7332 -1.7329 -0.0147 -0.0129 0.2674 0.2674 1.9001 1.9007 8.3873 8.3874 8.9650 8.9652 11.3324 11.3337 11.6220 11.6236 k = 0.2451 0.2311 0.5089 ( 1769 PWs) bands (ev): -25.3195 -25.3195 -13.4949 -13.4948 -9.1152 -9.1119 -8.8518 -8.8482 -8.7555 -8.7553 -1.7382 -1.7380 -0.0269 -0.0251 0.2417 0.2417 1.9172 1.9177 8.4090 8.4091 8.9746 8.9750 11.3344 11.3357 11.6759 11.6775 k = 0.2539 0.2393 0.5089 ( 1765 PWs) bands (ev): -25.3183 -25.3183 -13.4903 -13.4902 -9.1170 -9.1137 -8.8561 -8.8525 -8.7622 -8.7620 -1.7446 -1.7444 -0.0388 -0.0371 0.2162 0.2162 1.9349 1.9354 8.4311 8.4312 8.9853 8.9857 11.3382 11.3393 11.7257 11.7274 k = 0.2627 0.2476 0.5089 ( 1761 PWs) bands (ev): -25.3172 -25.3172 -13.4858 -13.4857 -9.1187 -9.1154 -8.8602 -8.8566 -8.7687 -8.7685 -1.7524 -1.7522 -0.0505 -0.0488 0.1909 0.1909 1.9531 1.9537 8.4537 8.4538 8.9970 8.9974 11.3438 11.3449 11.7710 11.7727 k = 0.2714 0.2558 0.5089 ( 1761 PWs) bands (ev): -25.3160 -25.3160 -13.4813 -13.4813 -9.1204 -9.1170 -8.8641 -8.8605 -8.7752 -8.7750 -1.7615 -1.7614 -0.0621 -0.0604 0.1660 0.1660 1.9718 1.9724 8.4766 8.4767 9.0095 9.0100 11.3515 11.3524 11.8115 11.8132 k = 0.2802 0.2641 0.5089 ( 1760 PWs) bands (ev): -25.3149 -25.3149 -13.4770 -13.4769 -9.1219 -9.1186 -8.8678 -8.8642 -8.7815 -8.7814 -1.7718 -1.7717 -0.0734 -0.0717 0.1414 0.1415 1.9910 1.9915 8.4998 8.4999 9.0229 9.0234 11.3614 11.3621 11.8470 11.8488 k = 0.2889 0.2723 0.5089 ( 1762 PWs) bands (ev): -25.3137 -25.3137 -13.4727 -13.4726 -9.1234 -9.1201 -8.8713 -8.8677 -8.7877 -8.7876 -1.7833 -1.7832 -0.0844 -0.0829 0.1174 0.1174 2.0104 2.0109 8.5231 8.5232 9.0369 9.0375 11.3735 11.3741 11.8776 11.8794 k = 0.2977 0.2806 0.5089 ( 1756 PWs) bands (ev): -25.3126 -25.3126 -13.4684 -13.4684 -9.1248 -9.1216 -8.8744 -8.8709 -8.7938 -8.7936 -1.7957 -1.7956 -0.0953 -0.0938 0.0938 0.0938 2.0300 2.0306 8.5465 8.5466 9.0517 9.0523 11.3881 11.3884 11.9036 11.9053 k = 0.3064 0.2888 0.5089 ( 1755 PWs) bands (ev): -25.3115 -25.3115 -13.4643 -13.4643 -9.1261 -9.1230 -8.8773 -8.8739 -8.7996 -8.7994 -1.8089 -1.8089 -0.1060 -0.1045 0.0708 0.0708 2.0498 2.0504 8.5699 8.5700 9.0669 9.0676 11.4052 11.4053 11.9253 11.9269 k = 0.3152 0.2971 0.5089 ( 1756 PWs) bands (ev): -25.3104 -25.3104 -13.4604 -13.4603 -9.1274 -9.1243 -8.8799 -8.8766 -8.8053 -8.8051 -1.8229 -1.8229 -0.1165 -0.1151 0.0484 0.0484 2.0696 2.0702 8.5931 8.5932 9.0825 9.0832 11.4246 11.4248 11.9431 11.9447 k = 0.3239 0.3053 0.5089 ( 1756 PWs) bands (ev): -25.3094 -25.3094 -13.4565 -13.4565 -9.1286 -9.1257 -8.8823 -8.8791 -8.8107 -8.8106 -1.8374 -1.8374 -0.1268 -0.1255 0.0267 0.0268 2.0893 2.0899 8.6162 8.6163 9.0984 9.0991 11.4466 11.4471 11.9576 11.9592 k = 0.3327 0.3136 0.5089 ( 1754 PWs) bands (ev): -25.3084 -25.3084 -13.4528 -13.4527 -9.1297 -9.1269 -8.8843 -8.8813 -8.8159 -8.8158 -1.8523 -1.8523 -0.1370 -0.1357 0.0058 0.0058 2.1089 2.1093 8.6390 8.6391 9.1145 9.1152 11.4711 11.4720 11.9693 11.9707 k = 0.3415 0.3218 0.5089 ( 1756 PWs) bands (ev): -25.3074 -25.3074 -13.4493 -13.4492 -9.1307 -9.1281 -8.8862 -8.8833 -8.8210 -8.8208 -1.8675 -1.8674 -0.1469 -0.1458 -0.0144 -0.0143 2.1280 2.1285 8.6613 8.6614 9.1305 9.1312 11.4983 11.4995 11.9786 11.9800 k = 0.3502 0.3301 0.5089 ( 1755 PWs) bands (ev): -25.3064 -25.3064 -13.4459 -13.4458 -9.1317 -9.1293 -8.8877 -8.8851 -8.8257 -8.8256 -1.8827 -1.8827 -0.1567 -0.1556 -0.0337 -0.0336 2.1467 2.1472 8.6832 8.6833 9.1464 9.1471 11.5281 11.5296 11.9859 11.9872 k = 0.3590 0.3383 0.5089 ( 1751 PWs) bands (ev): -25.3055 -25.3055 -13.4426 -13.4426 -9.1326 -9.1304 -8.8890 -8.8866 -8.8303 -8.8301 -1.8978 -1.8978 -0.1662 -0.1652 -0.0521 -0.0521 2.1649 2.1653 8.7044 8.7045 9.1621 9.1628 11.5603 11.5622 11.9918 11.9930 k = 0.3677 0.3466 0.5089 ( 1753 PWs) bands (ev): -25.3047 -25.3047 -13.4396 -13.4395 -9.1335 -9.1315 -8.8900 -8.8879 -8.8345 -8.8344 -1.9128 -1.9128 -0.1755 -0.1746 -0.0696 -0.0696 2.1823 2.1827 8.7249 8.7250 9.1774 9.1781 11.5949 11.5972 11.9964 11.9976 k = 0.3765 0.3548 0.5089 ( 1753 PWs) bands (ev): -25.3038 -25.3038 -13.4367 -13.4366 -9.1343 -9.1326 -8.8908 -8.8890 -8.8386 -8.8384 -1.9273 -1.9273 -0.1845 -0.1836 -0.0862 -0.0861 2.1989 2.1993 8.7445 8.7446 9.1923 9.1930 11.6318 11.6345 12.0002 12.0012 k = 0.3852 0.3631 0.5089 ( 1753 PWs) bands (ev): -25.3031 -25.3031 -13.4340 -13.4339 -9.1351 -9.1336 -8.8915 -8.8899 -8.8423 -8.8421 -1.9414 -1.9413 -0.1932 -0.1924 -0.1018 -0.1017 2.2146 2.2150 8.7632 8.7633 9.2066 9.2073 11.6707 11.6739 12.0033 12.0043 k = 0.3940 0.3713 0.5089 ( 1748 PWs) bands (ev): -25.3023 -25.3023 -13.4315 -13.4314 -9.1357 -9.1345 -8.8919 -8.8906 -8.8458 -8.8456 -1.9548 -1.9547 -0.2015 -0.2008 -0.1163 -0.1163 2.2293 2.2296 8.7809 8.7810 9.2203 9.2209 11.7115 11.7151 12.0060 12.0069 k = 0.4027 0.3796 0.5089 ( 1748 PWs) bands (ev): -25.3017 -25.3017 -13.4292 -13.4291 -9.1363 -9.1354 -8.8922 -8.8912 -8.8490 -8.8488 -1.9674 -1.9674 -0.2094 -0.2088 -0.1298 -0.1298 2.2427 2.2430 8.7975 8.7975 9.2332 9.2339 11.7538 11.7578 12.0085 12.0094 k = 0.4115 0.3878 0.5089 ( 1747 PWs) bands (ev): -25.3010 -25.3010 -13.4271 -13.4270 -9.1369 -9.1362 -8.8923 -8.8916 -8.8519 -8.8518 -1.9792 -1.9791 -0.2169 -0.2163 -0.1422 -0.1422 2.2550 2.2552 8.8128 8.8129 9.2454 9.2461 11.7975 11.8019 12.0110 12.0118 k = 0.4202 0.3961 0.5089 ( 1743 PWs) bands (ev): -25.3005 -25.3005 -13.4251 -13.4251 -9.1373 -9.1370 -8.8923 -8.8919 -8.8545 -8.8544 -1.9900 -1.9899 -0.2239 -0.2233 -0.1535 -0.1535 2.2659 2.2661 8.8269 8.8269 9.2568 9.2574 11.8421 11.8470 12.0136 12.0144 k = 0.4290 0.4043 0.5089 ( 1745 PWs) bands (ev): -25.3000 -25.3000 -13.4235 -13.4234 -9.1377 -9.1377 -8.8922 -8.8921 -8.8568 -8.8568 -1.9998 -1.9996 -0.2303 -0.2298 -0.1637 -0.1637 2.2753 2.2755 8.8395 8.8396 9.2673 9.2679 11.8874 11.8926 12.0165 12.0172 k = 0.4378 0.4126 0.5089 ( 1746 PWs) bands (ev): -25.2995 -25.2995 -13.4220 -13.4219 -9.1383 -9.1380 -8.8922 -8.8920 -8.8589 -8.8589 -2.0084 -2.0082 -0.2361 -0.2356 -0.1728 -0.1728 2.2832 2.2834 8.8507 8.8508 9.2769 9.2775 11.9330 11.9386 12.0197 12.0203 k = 0.4465 0.4208 0.5089 ( 1744 PWs) bands (ev): -25.2991 -25.2991 -13.4207 -13.4207 -9.1388 -9.1383 -8.8922 -8.8918 -8.8607 -8.8606 -2.0157 -2.0155 -0.2412 -0.2408 -0.1807 -0.1807 2.2896 2.2898 8.8605 8.8605 9.2856 9.2862 11.9783 11.9844 12.0233 12.0239 k = 0.4553 0.4291 0.5089 ( 1745 PWs) bands (ev): -25.2988 -25.2988 -13.4196 -13.4196 -9.1393 -9.1384 -8.8922 -8.8916 -8.8623 -8.8621 -2.0219 -2.0216 -0.2457 -0.2453 -0.1874 -0.1874 2.2944 2.2945 8.8686 8.8687 9.2934 9.2940 12.0213 12.0257 12.0297 12.0311 k = 0.4640 0.4373 0.5089 ( 1741 PWs) bands (ev): -25.2985 -25.2985 -13.4188 -13.4188 -9.1396 -9.1385 -8.8921 -8.8913 -8.8635 -8.8632 -2.0266 -2.0264 -0.2494 -0.2491 -0.1930 -0.1929 2.2975 2.2976 8.8753 8.8753 9.3002 9.3008 12.0314 12.0314 12.0679 12.0742 k = 0.4728 0.4456 0.5089 ( 1747 PWs) bands (ev): -25.2984 -25.2984 -13.4182 -13.4182 -9.1399 -9.1385 -8.8920 -8.8910 -8.8646 -8.8641 -2.0301 -2.0298 -0.2523 -0.2521 -0.1973 -0.1973 2.2990 2.2991 8.8803 8.8803 9.3061 9.3067 12.0363 12.0364 12.1102 12.1169 k = 0.5000 0.4713-0.0569 ( 1754 PWs) bands (ev): -25.3218 -25.3218 -13.4945 -13.4945 -9.1548 -9.1548 -8.9528 -8.9528 -8.6659 -8.6659 -1.4576 -1.4576 -0.0762 -0.0762 0.6592 0.6592 1.5214 1.5214 7.3287 7.3287 9.1742 9.1742 10.7934 10.7934 11.7482 11.7482 k = 0.5066 0.4643-0.0569 ( 1758 PWs) bands (ev): -25.3218 -25.3218 -13.4946 -13.4946 -9.1558 -9.1536 -8.9538 -8.9514 -8.6660 -8.6658 -1.4574 -1.4574 -0.0765 -0.0764 0.6591 0.6592 1.5214 1.5215 7.3293 7.3294 9.1744 9.1745 10.7939 10.7940 11.7483 11.7484 k = 0.5132 0.4572-0.0569 ( 1758 PWs) bands (ev): -25.3218 -25.3218 -13.4949 -13.4948 -9.1564 -9.1520 -8.9545 -8.9497 -8.6662 -8.6657 -1.4568 -1.4567 -0.0774 -0.0771 0.6591 0.6593 1.5215 1.5216 7.3313 7.3316 9.1753 9.1754 10.7957 10.7959 11.7487 11.7489 k = 0.5198 0.4502-0.0569 ( 1760 PWs) bands (ev): -25.3220 -25.3220 -13.4954 -13.4953 -9.1568 -9.1501 -8.9549 -8.9476 -8.6664 -8.6656 -1.4558 -1.4557 -0.0788 -0.0784 0.6590 0.6593 1.5217 1.5217 7.3347 7.3352 9.1767 9.1769 10.7987 10.7989 11.7494 11.7496 k = 0.5264 0.4432-0.0569 ( 1762 PWs) bands (ev): -25.3221 -25.3221 -13.4961 -13.4960 -9.1569 -9.1480 -8.9550 -8.9453 -8.6665 -8.6655 -1.4544 -1.4543 -0.0807 -0.0802 0.6589 0.6593 1.5219 1.5219 7.3395 7.3402 9.1786 9.1788 10.8030 10.8032 11.7503 11.7506 k = 0.4736-0.5025 0.0000 ( 1762 PWs) bands (ev): -25.3221 -25.3221 -13.4961 -13.4960 -9.1569 -9.1480 -8.9550 -8.9453 -8.6665 -8.6655 -1.4544 -1.4543 -0.0807 -0.0802 0.6589 0.6593 1.5219 1.5219 7.3395 7.3402 9.1786 9.1788 10.8030 10.8032 11.7503 11.7506 k = 0.4654-0.4938 0.0000 ( 1760 PWs) bands (ev): -25.3223 -25.3223 -13.4971 -13.4970 -9.1565 -9.1450 -8.9546 -8.9419 -8.6668 -8.6655 -1.4521 -1.4519 -0.0838 -0.0830 0.6588 0.6593 1.5222 1.5223 7.3472 7.3481 9.1817 9.1819 10.8099 10.8102 11.7518 11.7522 k = 0.4573-0.4852 0.0000 ( 1760 PWs) bands (ev): -25.3226 -25.3226 -13.4985 -13.4984 -9.1557 -9.1416 -8.9537 -8.9381 -8.6671 -8.6654 -1.4491 -1.4490 -0.0875 -0.0866 0.6587 0.6593 1.5226 1.5227 7.3569 7.3579 9.1853 9.1856 10.8185 10.8189 11.7537 11.7541 k = 0.4491-0.4765 0.0000 ( 1762 PWs) bands (ev): -25.3229 -25.3229 -13.5002 -13.5000 -9.1545 -9.1378 -8.9522 -8.9338 -8.6674 -8.6654 -1.4456 -1.4455 -0.0920 -0.0909 0.6586 0.6593 1.5231 1.5232 7.3683 7.3695 9.1893 9.1897 10.8290 10.8295 11.7560 11.7565 k = 0.4409-0.4678 0.0000 ( 1768 PWs) bands (ev): -25.3233 -25.3233 -13.5021 -13.5019 -9.1528 -9.1336 -8.9503 -8.9292 -8.6677 -8.6654 -1.4415 -1.4413 -0.0970 -0.0957 0.6585 0.6593 1.5235 1.5237 7.3813 7.3827 9.1935 9.1940 10.8412 10.8418 11.7586 11.7591 k = 0.4328-0.4592 0.0000 ( 1766 PWs) bands (ev): -25.3237 -25.3237 -13.5042 -13.5040 -9.1506 -9.1291 -8.9478 -8.9241 -8.6681 -8.6654 -1.4367 -1.4365 -0.1025 -0.1011 0.6584 0.6594 1.5241 1.5242 7.3957 7.3974 9.1977 9.1983 10.8552 10.8558 11.7614 11.7620 k = 0.4246-0.4505 0.0000 ( 1764 PWs) bands (ev): -25.3242 -25.3242 -13.5066 -13.5064 -9.1481 -9.1243 -8.9449 -8.9186 -8.6684 -8.6655 -1.4314 -1.4311 -0.1085 -0.1069 0.6584 0.6595 1.5246 1.5248 7.4114 7.4132 9.2016 9.2022 10.8708 10.8715 11.7645 11.7651 k = 0.4164-0.4418 0.0000 ( 1764 PWs) bands (ev): -25.3247 -25.3247 -13.5092 -13.5089 -9.1451 -9.1192 -8.9415 -8.9127 -8.6688 -8.6655 -1.4254 -1.4252 -0.1148 -0.1132 0.6584 0.6596 1.5251 1.5253 7.4282 7.4301 9.2048 9.2055 10.8880 10.8888 11.7676 11.7683 k = 0.4083-0.4332 0.0000 ( 1766 PWs) bands (ev): -25.3253 -25.3253 -13.5120 -13.5117 -9.1418 -9.1138 -8.9376 -8.9066 -8.6692 -8.6656 -1.4189 -1.4187 -0.1215 -0.1197 0.6585 0.6598 1.5255 1.5258 7.4457 7.4478 9.2070 9.2077 10.9068 10.9076 11.7707 11.7715 k = 0.4001-0.4245 0.0000 ( 1766 PWs) bands (ev): -25.3260 -25.3260 -13.5149 -13.5146 -9.1381 -9.1082 -8.9333 -8.9001 -8.6697 -8.6657 -1.4118 -1.4115 -0.1283 -0.1264 0.6587 0.6601 1.5258 1.5261 7.4637 7.4659 9.2079 9.2087 10.9272 10.9280 11.7738 11.7746 k = 0.3919-0.4159 0.0000 ( 1762 PWs) bands (ev): -25.3267 -25.3267 -13.5180 -13.5177 -9.1340 -9.1024 -8.9286 -8.8933 -8.6701 -8.6658 -1.4042 -1.4039 -0.1351 -0.1331 0.6590 0.6605 1.5261 1.5264 7.4820 7.4844 9.2071 9.2079 10.9489 10.9498 11.7765 11.7773 k = 0.3838-0.4072 0.0000 ( 1760 PWs) bands (ev): -25.3274 -25.3274 -13.5213 -13.5210 -9.1296 -9.0964 -8.9235 -8.8863 -8.6706 -8.6659 -1.3960 -1.3956 -0.1420 -0.1398 0.6594 0.6610 1.5261 1.5265 7.5003 7.5027 9.2041 9.2050 10.9720 10.9730 11.7787 11.7796 k = 0.3756-0.3985 0.0000 ( 1762 PWs) bands (ev): -25.3282 -25.3282 -13.5247 -13.5243 -9.1250 -9.0903 -8.9180 -8.8791 -8.6711 -8.6661 -1.3872 -1.3869 -0.1487 -0.1464 0.6599 0.6616 1.5260 1.5264 7.5182 7.5208 9.1986 9.1996 10.9965 10.9975 11.7803 11.7812 k = 0.3674-0.3899 0.0000 ( 1762 PWs) bands (ev): -25.3290 -25.3290 -13.5282 -13.5278 -9.1200 -9.0841 -8.9122 -8.8717 -8.6715 -8.6662 -1.3779 -1.3776 -0.1552 -0.1528 0.6606 0.6624 1.5256 1.5260 7.5356 7.5382 9.1903 9.1913 11.0221 11.0232 11.7811 11.7820 k = 0.3593-0.3812 0.0000 ( 1762 PWs) bands (ev): -25.3299 -25.3299 -13.5318 -13.5314 -9.1148 -9.0777 -8.9061 -8.8641 -8.6720 -8.6664 -1.3681 -1.3678 -0.1613 -0.1589 0.6615 0.6634 1.5249 1.5254 7.5521 7.5548 9.1786 9.1797 11.0489 11.0500 11.7808 11.7818 k = 0.3511-0.3725 0.0000 ( 1764 PWs) bands (ev): -25.3308 -25.3308 -13.5354 -13.5350 -9.1094 -9.0714 -8.8997 -8.8565 -8.6726 -8.6665 -1.3578 -1.3575 -0.1670 -0.1645 0.6626 0.6646 1.5239 1.5245 7.5674 7.5702 9.1635 9.1645 11.0766 11.0778 11.7795 11.7805 k = 0.3430-0.3639 0.0000 ( 1760 PWs) bands (ev): -25.3317 -25.3317 -13.5391 -13.5387 -9.1038 -9.0649 -8.8930 -8.8487 -8.6731 -8.6667 -1.3470 -1.3467 -0.1721 -0.1696 0.6639 0.6659 1.5225 1.5231 7.5814 7.5842 9.1445 9.1456 11.1053 11.1066 11.7769 11.7779 k = 0.3348-0.3552 0.0000 ( 1756 PWs) bands (ev): -25.3327 -25.3327 -13.5428 -13.5424 -9.0980 -9.0585 -8.8861 -8.8409 -8.6736 -8.6668 -1.3358 -1.3354 -0.1766 -0.1740 0.6654 0.6675 1.5207 1.5214 7.5936 7.5965 9.1215 9.1226 11.1347 11.1361 11.7730 11.7742 k = 0.3266-0.3465 0.0000 ( 1758 PWs) bands (ev): -25.3337 -25.3337 -13.5465 -13.5461 -9.0920 -9.0521 -8.8790 -8.8331 -8.6741 -8.6669 -1.3241 -1.3237 -0.1804 -0.1778 0.6671 0.6694 1.5184 1.5191 7.6040 7.6069 9.0943 9.0954 11.1647 11.1663 11.7679 11.7691 k = 0.3185-0.3379 0.0000 ( 1760 PWs) bands (ev): -25.3348 -25.3348 -13.5502 -13.5498 -9.0860 -9.0457 -8.8718 -8.8252 -8.6746 -8.6671 -1.3120 -1.3116 -0.1833 -0.1807 0.6692 0.6715 1.5155 1.5163 7.6123 7.6152 9.0629 9.0640 11.1951 11.1968 11.7614 11.7628 k = 0.3103-0.3292 0.0000 ( 1762 PWs) bands (ev): -25.3358 -25.3358 -13.5538 -13.5534 -9.0799 -9.0394 -8.8645 -8.8175 -8.6751 -8.6672 -1.2995 -1.2991 -0.1853 -0.1827 0.6715 0.6739 1.5121 1.5130 7.6183 7.6211 9.0273 9.0284 11.2257 11.2276 11.7535 11.7551 k = 0.3021-0.3206 0.0000 ( 1768 PWs) bands (ev): -25.3370 -25.3370 -13.5575 -13.5571 -9.0737 -9.0332 -8.8571 -8.8098 -8.6756 -8.6674 -1.2866 -1.2862 -0.1864 -0.1838 0.6741 0.6765 1.5080 1.5089 7.6219 7.6247 8.9876 8.9887 11.2561 11.2582 11.7440 11.7458 k = 0.2940-0.3119 0.0000 ( 1762 PWs) bands (ev): -25.3381 -25.3381 -13.5610 -13.5606 -9.0674 -9.0271 -8.8496 -8.8022 -8.6760 -8.6674 -1.2733 -1.2729 -0.1863 -0.1837 0.6770 0.6795 1.5033 1.5042 7.6230 7.6257 8.9441 8.9452 11.2860 11.2884 11.7329 11.7350 k = 0.2858-0.3032 0.0000 ( 1760 PWs) bands (ev): -25.3392 -25.3392 -13.5645 -13.5641 -9.0612 -9.0211 -8.8420 -8.7946 -8.6764 -8.6675 -1.2597 -1.2593 -0.1851 -0.1825 0.6802 0.6828 1.4978 1.4988 7.6215 7.6242 8.8969 8.8979 11.3151 11.3178 11.7200 11.7223 k = 0.2776-0.2946 0.0000 ( 1758 PWs) bands (ev): -25.3403 -25.3403 -13.5679 -13.5675 -9.0549 -9.0152 -8.8345 -8.7873 -8.6768 -8.6676 -1.2459 -1.2454 -0.1827 -0.1801 0.6837 0.6864 1.4915 1.4926 7.6173 7.6199 8.8463 8.8473 11.3425 11.3456 11.7052 11.7079 k = 0.2695-0.2859 0.0000 ( 1762 PWs) bands (ev): -25.3415 -25.3415 -13.5712 -13.5708 -9.0488 -9.0095 -8.8270 -8.7801 -8.6772 -8.6677 -1.2317 -1.2313 -0.1791 -0.1765 0.6875 0.6903 1.4843 1.4855 7.6104 7.6130 8.7926 8.7936 11.3676 11.3711 11.6888 11.6919 k = 0.2613-0.2772 0.0000 ( 1764 PWs) bands (ev): -25.3427 -25.3427 -13.5744 -13.5740 -9.0427 -9.0041 -8.8195 -8.7731 -8.6776 -8.6677 -1.2174 -1.2169 -0.1741 -0.1716 0.6916 0.6944 1.4763 1.4775 7.6010 7.6035 8.7362 8.7372 11.3891 11.3931 11.6716 11.6750 k = 0.2531-0.2686 0.0000 ( 1766 PWs) bands (ev): -25.3439 -25.3439 -13.5774 -13.5770 -9.0366 -8.9988 -8.8121 -8.7663 -8.6779 -8.6678 -1.2028 -1.2024 -0.1678 -0.1653 0.6961 0.6990 1.4673 1.4686 7.5891 7.5914 8.6774 8.6784 11.4053 11.4098 11.6549 11.6588 k = 0.2450-0.2599 0.0000 ( 1768 PWs) bands (ev): -25.3451 -25.3451 -13.5804 -13.5800 -9.0307 -8.9937 -8.8048 -8.7597 -8.6783 -8.6678 -1.1881 -1.1877 -0.1600 -0.1576 0.7008 0.7038 1.4574 1.4587 7.5747 7.5769 8.6166 8.6176 11.4140 11.4188 11.6411 11.6453 k = 0.2368-0.2512 0.0000 ( 1770 PWs) bands (ev): -25.3464 -25.3464 -13.5832 -13.5828 -9.0249 -8.9889 -8.7976 -8.7534 -8.6785 -8.6678 -1.1732 -1.1728 -0.1509 -0.1485 0.7059 0.7089 1.4464 1.4479 7.5581 7.5602 8.5542 8.5552 11.4129 11.4178 11.6325 11.6368 k = 0.2286-0.2426 0.0000 ( 1772 PWs) bands (ev): -25.3476 -25.3476 -13.5858 -13.5854 -9.0193 -8.9843 -8.7905 -8.7473 -8.6787 -8.6677 -1.1583 -1.1578 -0.1403 -0.1379 0.7112 0.7143 1.4344 1.4359 7.5393 7.5413 8.4905 8.4915 11.4011 11.4058 11.6303 11.6344 k = 0.2205-0.2339 0.0000 ( 1768 PWs) bands (ev): -25.3487 -25.3487 -13.5883 -13.5879 -9.0139 -8.9799 -8.7836 -8.7414 -8.6788 -8.6676 -1.1433 -1.1428 -0.1282 -0.1258 0.7168 0.7200 1.4213 1.4229 7.5187 7.5206 8.4259 8.4270 11.3798 11.3841 11.6335 11.6373 k = 0.2123-0.2253 0.0000 ( 1770 PWs) bands (ev): -25.3499 -25.3499 -13.5907 -13.5903 -9.0086 -8.9758 -8.7768 -8.7359 -8.6789 -8.6675 -1.1283 -1.1278 -0.1146 -0.1123 0.7226 0.7258 1.4072 1.4088 7.4963 7.4981 8.3608 8.3619 11.3513 11.3551 11.6396 11.6433 k = 0.2041-0.2166 0.0000 ( 1768 PWs) bands (ev): -25.3511 -25.3511 -13.5929 -13.5925 -9.0035 -8.9720 -8.7702 -8.7306 -8.6790 -8.6673 -1.1133 -1.1129 -0.0995 -0.0973 0.7287 0.7320 1.3919 1.3936 7.4725 7.4741 8.2954 8.2965 11.3178 11.3213 11.6466 11.6502 k = 0.1960-0.2079 0.0000 ( 1768 PWs) bands (ev): -25.3523 -25.3523 -13.5949 -13.5946 -8.9987 -8.9684 -8.7637 -8.7256 -8.6789 -8.6671 -1.0984 -1.0980 -0.0830 -0.0809 0.7350 0.7383 1.3754 1.3773 7.4474 7.4489 8.2301 8.2313 11.2811 11.2843 11.6530 11.6568 k = 0.1878-0.1993 0.0000 ( 1768 PWs) bands (ev): -25.3534 -25.3534 -13.5969 -13.5965 -8.9941 -8.9651 -8.7575 -8.7209 -8.6788 -8.6668 -1.0836 -1.0832 -0.0650 -0.0629 0.7414 0.7448 1.3578 1.3597 7.4213 7.4227 8.1651 8.1664 11.2423 11.2452 11.6579 11.6618 k = 0.1796-0.1906 0.0000 ( 1764 PWs) bands (ev): -25.3545 -25.3545 -13.5986 -13.5983 -8.9897 -8.9621 -8.7515 -8.7166 -8.6786 -8.6665 -1.0691 -1.0686 -0.0456 -0.0435 0.7481 0.7515 1.3391 1.3411 7.3945 7.3957 8.1009 8.1022 11.2023 11.2050 11.6609 11.6650 k = 0.1715-0.1819 0.0000 ( 1767 PWs) bands (ev): -25.3557 -25.3557 -13.6002 -13.5999 -8.9855 -8.9593 -8.7458 -8.7126 -8.6783 -8.6661 -1.0547 -1.0543 -0.0247 -0.0227 0.7547 0.7583 1.3191 1.3212 7.3671 7.3682 8.0376 8.0389 11.1616 11.1642 11.6617 11.6660 k = 0.1633-0.1733 0.0000 ( 1767 PWs) bands (ev): -25.3567 -25.3567 -13.6017 -13.6014 -8.9816 -8.9568 -8.7403 -8.7090 -8.6778 -8.6656 -1.0406 -1.0402 -0.0025 -0.0005 0.7615 0.7651 1.2980 1.3002 7.3394 7.3404 7.9755 7.9768 11.1207 11.1231 11.6605 11.6648 k = 0.1551-0.1646 0.0000 ( 1767 PWs) bands (ev): -25.3578 -25.3578 -13.6031 -13.6028 -8.9779 -8.9545 -8.7351 -8.7058 -8.6772 -8.6650 -1.0268 -1.0264 0.0212 0.0230 0.7683 0.7720 1.2758 1.2780 7.3117 7.3126 7.9149 7.9162 11.0799 11.0822 11.6572 11.6615 k = 0.1470-0.1559 0.0000 ( 1769 PWs) bands (ev): -25.3588 -25.3588 -13.6043 -13.6040 -8.9745 -8.9525 -8.7302 -8.7031 -8.6764 -8.6643 -1.0133 -1.0129 0.0461 0.0479 0.7750 0.7788 1.2524 1.2547 7.2841 7.2849 7.8559 7.8572 11.0396 11.0418 11.6521 11.6564 k = 0.1388-0.1473 0.0000 ( 1763 PWs) bands (ev): -25.3598 -25.3598 -13.6054 -13.6051 -8.9713 -8.9507 -8.7256 -8.7008 -8.6753 -8.6635 -1.0003 -0.9999 0.0723 0.0741 0.7817 0.7856 1.2279 1.2304 7.2568 7.2575 7.7988 7.8001 11.0000 11.0021 11.6455 11.6498 k = 0.1306-0.1386 0.0000 ( 1763 PWs) bands (ev): -25.3607 -25.3607 -13.6064 -13.6061 -8.9683 -8.9491 -8.7214 -8.6989 -8.6741 -8.6625 -0.9877 -0.9873 0.0996 0.1014 0.7883 0.7923 1.2023 1.2049 7.2302 7.2308 7.7439 7.7451 10.9614 10.9633 11.6378 11.6419 k = 0.1225-0.1300 0.0000 ( 1763 PWs) bands (ev): -25.3616 -25.3616 -13.6073 -13.6070 -8.9656 -8.9477 -8.7176 -8.6974 -8.6727 -8.6615 -0.9756 -0.9752 0.1282 0.1299 0.7947 0.7989 1.1757 1.1785 7.2043 7.2048 7.6912 7.6924 10.9239 10.9257 11.6291 11.6330 k = 0.1143-0.1213 0.0000 ( 1769 PWs) bands (ev): -25.3625 -25.3625 -13.6080 -13.6078 -8.9631 -8.9466 -8.7142 -8.6963 -8.6711 -8.6603 -0.9640 -0.9637 0.1577 0.1594 0.8009 0.8052 1.1481 1.1510 7.1793 7.1798 7.6410 7.6421 10.8878 10.8896 11.6197 11.6235 k = 0.1062-0.1126 0.0000 ( 1769 PWs) bands (ev): -25.3633 -25.3633 -13.6087 -13.6085 -8.9607 -8.9456 -8.7112 -8.6955 -8.6694 -8.6590 -0.9531 -0.9527 0.1883 0.1900 0.8067 0.8113 1.1195 1.1227 7.1554 7.1558 7.5934 7.5945 10.8534 10.8550 11.6100 11.6136 k = 0.0980-0.1040 0.0000 ( 1771 PWs) bands (ev): -25.3640 -25.3640 -13.6093 -13.6091 -8.9586 -8.9447 -8.7086 -8.6949 -8.6675 -8.6577 -0.9427 -0.9424 0.2198 0.2214 0.8122 0.8170 1.0901 1.0935 7.1327 7.1331 7.5487 7.5497 10.8207 10.8222 11.6002 11.6035 k = 0.0898-0.0953 0.0000 ( 1771 PWs) bands (ev): -25.3647 -25.3647 -13.6098 -13.6096 -8.9567 -8.9441 -8.7063 -8.6946 -8.6657 -8.6564 -0.9330 -0.9327 0.2521 0.2537 0.8172 0.8224 1.0600 1.0637 7.1114 7.1118 7.5069 7.5078 10.7900 10.7914 11.5905 11.5936 k = 0.0817-0.0866 0.0000 ( 1771 PWs) bands (ev): -25.3654 -25.3654 -13.6103 -13.6101 -8.9549 -8.9436 -8.7044 -8.6944 -8.6637 -8.6551 -0.9240 -0.9238 0.2851 0.2868 0.8216 0.8272 1.0292 1.0334 7.0916 7.0920 7.4682 7.4691 10.7614 10.7627 11.5811 11.5839 k = 0.0735-0.0780 0.0000 ( 1767 PWs) bands (ev): -25.3660 -25.3660 -13.6106 -13.6105 -8.9533 -8.9432 -8.7027 -8.6943 -8.6618 -8.6538 -0.9158 -0.9155 0.3187 0.3204 0.8252 0.8315 0.9980 1.0028 7.0735 7.0739 7.4328 7.4336 10.7351 10.7363 11.5721 11.5746 k = 0.0653-0.0693 0.0000 ( 1767 PWs) bands (ev): -25.3665 -25.3665 -13.6109 -13.6108 -8.9518 -8.9429 -8.7014 -8.6943 -8.6599 -8.6527 -0.9083 -0.9081 0.3528 0.3545 0.8276 0.8348 0.9668 0.9724 7.0570 7.0574 7.4007 7.4014 10.7112 10.7122 11.5637 11.5660 k = 0.0572-0.0606 0.0000 ( 1769 PWs) bands (ev): -25.3670 -25.3670 -13.6112 -13.6111 -8.9505 -8.9428 -8.7003 -8.6944 -8.6581 -8.6517 -0.9016 -0.9014 0.3872 0.3889 0.8281 0.8365 0.9362 0.9431 7.0424 7.0427 7.3721 7.3728 10.6898 10.6907 11.5561 11.5580 k = 0.0490-0.0520 0.0000 ( 1771 PWs) bands (ev): -25.3674 -25.3674 -13.6114 -13.6113 -8.9493 -8.9427 -8.6994 -8.6945 -8.6564 -8.6508 -0.8958 -0.8956 0.4217 0.4234 0.8252 0.8353 0.9078 0.9163 7.0295 7.0298 7.3471 7.3477 10.6711 10.6719 11.5492 11.5509 k = 0.0408-0.0433 0.0000 ( 1773 PWs) bands (ev): -25.3678 -25.3678 -13.6116 -13.6115 -8.9483 -8.9428 -8.6986 -8.6947 -8.6549 -8.6502 -0.8908 -0.8907 0.4559 0.4577 0.8164 0.8274 0.8856 0.8950 7.0186 7.0189 7.3258 7.3263 10.6551 10.6557 11.5433 11.5447 k = 0.0327-0.0347 0.0000 ( 1775 PWs) bands (ev): -25.3681 -25.3681 -13.6117 -13.6116 -8.9473 -8.9430 -8.6979 -8.6950 -8.6535 -8.6497 -0.8867 -0.8866 0.4895 0.4913 0.7998 0.8091 0.8739 0.8815 7.0096 7.0098 7.3082 7.3086 10.6419 10.6424 11.5384 11.5395 k = 0.0245-0.0260 0.0000 ( 1777 PWs) bands (ev): -25.3683 -25.3683 -13.6118 -13.6118 -8.9465 -8.9432 -8.6974 -8.6952 -8.6523 -8.6494 -0.8835 -0.8834 0.5216 0.5233 0.7772 0.7839 0.8698 0.8747 7.0026 7.0028 7.2945 7.2948 10.6316 10.6320 11.5345 11.5353 k = 0.0163-0.0173 0.0000 ( 1779 PWs) bands (ev): -25.3685 -25.3685 -13.6119 -13.6118 -8.9457 -8.9435 -8.6969 -8.6955 -8.6512 -8.6493 -0.8812 -0.8811 0.5505 0.5521 0.7536 0.7580 0.8687 0.8716 6.9975 6.9977 7.2847 7.2848 10.6242 10.6245 11.5317 11.5323 k = 0.0082-0.0087 0.0000 ( 1783 PWs) bands (ev): -25.3686 -25.3686 -13.6119 -13.6119 -8.9451 -8.9440 -8.6965 -8.6958 -8.6504 -8.6495 -0.8798 -0.8798 0.5728 0.5738 0.7345 0.7369 0.8687 0.8700 6.9945 6.9946 7.2788 7.2789 10.6198 10.6199 11.5301 11.5304 k = 0.0000 0.0000 0.0000 ( 1779 PWs) bands (ev): -25.3686 -25.3686 -13.6119 -13.6119 -8.9445 -8.9445 -8.6961 -8.6961 -8.6498 -8.6498 -0.8793 -0.8793 0.5821 0.5821 0.7276 0.7276 0.8692 0.8692 6.9936 6.9936 7.2768 7.2768 10.6183 10.6183 11.5297 11.5297 k = 0.0000 0.0000 0.0000 ( 1779 PWs) bands (ev): -25.3686 -25.3686 -13.6119 -13.6119 -8.9445 -8.9445 -8.6961 -8.6961 -8.6498 -8.6498 -0.8793 -0.8793 0.5821 0.5821 0.7276 0.7276 0.8692 0.8692 6.9936 6.9936 7.2768 7.2768 10.6183 10.6183 11.5297 11.5297 k = 0.0119-0.0007-0.0007 ( 1782 PWs) bands (ev): -25.3686 -25.3686 -13.6119 -13.6119 -8.9449 -8.9441 -8.6965 -8.6959 -8.6503 -8.6496 -0.8803 -0.8803 0.5768 0.5776 0.7308 0.7325 0.8697 0.8706 6.9949 6.9950 7.2788 7.2789 10.6187 10.6188 11.5299 11.5301 k = 0.0238-0.0014-0.0014 ( 1780 PWs) bands (ev): -25.3685 -25.3685 -13.6118 -13.6118 -8.9455 -8.9439 -8.6968 -8.6958 -8.6509 -8.6495 -0.8831 -0.8831 0.5633 0.5647 0.7406 0.7438 0.8724 0.8743 6.9989 6.9991 7.2848 7.2849 10.6197 10.6199 11.5307 11.5311 k = 0.0357-0.0021-0.0020 ( 1781 PWs) bands (ev): -25.3683 -25.3683 -13.6117 -13.6117 -8.9462 -8.9438 -8.6974 -8.6958 -8.6517 -8.6496 -0.8879 -0.8878 0.5447 0.5463 0.7537 0.7580 0.8776 0.8804 7.0056 7.0058 7.2948 7.2950 10.6214 10.6217 11.5320 11.5326 k = 0.0476-0.0028-0.0027 ( 1780 PWs) bands (ev): -25.3681 -25.3681 -13.6115 -13.6115 -8.9470 -8.9438 -8.6980 -8.6959 -8.6526 -8.6499 -0.8945 -0.8944 0.5232 0.5248 0.7672 0.7723 0.8861 0.8896 7.0148 7.0150 7.3089 7.3092 10.6238 10.6242 11.5333 11.5341 k = 0.0595-0.0035-0.0034 ( 1778 PWs) bands (ev): -25.3678 -25.3678 -13.6113 -13.6112 -8.9479 -8.9440 -8.6988 -8.6961 -8.6536 -8.6503 -0.9030 -0.9028 0.5002 0.5018 0.7792 0.7846 0.8984 0.9023 7.0263 7.0266 7.3271 7.3274 10.6268 10.6273 11.5343 11.5353 k = 0.0714-0.0042-0.0041 ( 1776 PWs) bands (ev): -25.3674 -25.3674 -13.6110 -13.6109 -8.9489 -8.9442 -8.6997 -8.6965 -8.6545 -8.6508 -0.9132 -0.9131 0.4765 0.4780 0.7887 0.7942 0.9146 0.9186 7.0399 7.0403 7.3495 7.3498 10.6304 10.6310 11.5343 11.5354 k = 0.0833-0.0049-0.0047 ( 1776 PWs) bands (ev): -25.3670 -25.3670 -13.6107 -13.6106 -8.9501 -8.9447 -8.7009 -8.6971 -8.6555 -8.6513 -0.9253 -0.9251 0.4526 0.4541 0.7958 0.8010 0.9340 0.9379 7.0556 7.0560 7.3760 7.3764 10.6345 10.6352 11.5325 11.5338 k = 0.0952-0.0056-0.0054 ( 1777 PWs) bands (ev): -25.3665 -25.3665 -13.6103 -13.6102 -8.9514 -8.9453 -8.7023 -8.6979 -8.6564 -8.6519 -0.9391 -0.9389 0.4289 0.4303 0.8008 0.8057 0.9560 0.9595 7.0730 7.0735 7.4066 7.4071 10.6391 10.6398 11.5281 11.5295 k = 0.1071-0.0063-0.0061 ( 1773 PWs) bands (ev): -25.3659 -25.3659 -13.6099 -13.6098 -8.9529 -8.9461 -8.7039 -8.6990 -8.6570 -8.6523 -0.9545 -0.9543 0.4057 0.4070 0.8043 0.8088 0.9796 0.9828 7.0921 7.0927 7.4412 7.4417 10.6440 10.6449 11.5203 11.5218 k = 0.1190-0.0071-0.0068 ( 1770 PWs) bands (ev): -25.3653 -25.3653 -13.6095 -13.6094 -8.9545 -8.9470 -8.7059 -8.7002 -8.6575 -8.6527 -0.9715 -0.9713 0.3830 0.3842 0.8067 0.8107 1.0042 1.0071 7.1127 7.1133 7.4797 7.4803 10.6492 10.6502 11.5086 11.5101 k = 0.1310-0.0078-0.0074 ( 1768 PWs) bands (ev): -25.3647 -25.3647 -13.6090 -13.6089 -8.9563 -8.9482 -8.7080 -8.7018 -8.6578 -8.6530 -0.9901 -0.9898 0.3610 0.3621 0.8083 0.8119 1.0295 1.0321 7.1347 7.1353 7.5219 7.5225 10.6547 10.6557 11.4927 11.4942 k = 0.1429-0.0085-0.0081 ( 1767 PWs) bands (ev): -25.3640 -25.3640 -13.6085 -13.6084 -8.9583 -8.9496 -8.7104 -8.7036 -8.6578 -8.6531 -1.0100 -1.0097 0.3398 0.3409 0.8092 0.8126 1.0550 1.0574 7.1580 7.1587 7.5675 7.5682 10.6603 10.6614 11.4727 11.4742 k = 0.1548-0.0092-0.0088 ( 1768 PWs) bands (ev): -25.3632 -25.3632 -13.6080 -13.6078 -8.9605 -8.9512 -8.7131 -8.7056 -8.6576 -8.6530 -1.0312 -1.0308 0.3195 0.3205 0.8098 0.8129 1.0805 1.0827 7.1825 7.1833 7.6164 7.6171 10.6659 10.6671 11.4488 11.4503 k = 0.1667-0.0099-0.0095 ( 1768 PWs) bands (ev): -25.3625 -25.3625 -13.6074 -13.6073 -8.9628 -8.9530 -8.7159 -8.7079 -8.6572 -8.6527 -1.0536 -1.0532 0.3001 0.3010 0.8100 0.8128 1.1059 1.1080 7.2083 7.2090 7.6680 7.6688 10.6716 10.6728 11.4216 11.4230 k = 0.1786-0.0106-0.0102 ( 1767 PWs) bands (ev): -25.3616 -25.3616 -13.6068 -13.6067 -8.9654 -8.9551 -8.7187 -8.7102 -8.6566 -8.6523 -1.0770 -1.0766 0.2816 0.2825 0.8100 0.8126 1.1311 1.1331 7.2352 7.2359 7.7223 7.7230 10.6771 10.6784 11.3915 11.3930 k = 0.1905-0.0113-0.0108 ( 1765 PWs) bands (ev): -25.3608 -25.3608 -13.6062 -13.6060 -8.9681 -8.9575 -8.7217 -8.7127 -8.6558 -8.6517 -1.1012 -1.1008 0.2641 0.2649 0.8098 0.8122 1.1560 1.1578 7.2631 7.2639 7.7786 7.7794 10.6823 10.6837 11.3592 11.3606 k = 0.2024-0.0120-0.0115 ( 1766 PWs) bands (ev): -25.3599 -25.3599 -13.6056 -13.6054 -8.9710 -8.9601 -8.7246 -8.7152 -8.6548 -8.6510 -1.1262 -1.1258 0.2475 0.2483 0.8094 0.8116 1.1804 1.1822 7.2921 7.2929 7.8368 7.8376 10.6872 10.6886 11.3250 11.3265 k = 0.2143-0.0127-0.0122 ( 1765 PWs) bands (ev): -25.3590 -25.3590 -13.6050 -13.6048 -8.9741 -8.9629 -8.7275 -8.7178 -8.6537 -8.6501 -1.1518 -1.1514 0.2319 0.2327 0.8089 0.8110 1.2044 1.2061 7.3221 7.3229 7.8964 7.8972 10.6914 10.6929 11.2896 11.2911 k = 0.2262-0.0134-0.0129 ( 1764 PWs) bands (ev): -25.3581 -25.3581 -13.6043 -13.6042 -8.9773 -8.9660 -8.7303 -8.7203 -8.6525 -8.6491 -1.1779 -1.1774 0.2173 0.2180 0.8083 0.8102 1.2278 1.2295 7.3530 7.3539 7.9570 7.9578 10.6948 10.6964 11.2535 11.2551 k = 0.2381-0.0141-0.0135 ( 1765 PWs) bands (ev): -25.3572 -25.3572 -13.6037 -13.6035 -8.9807 -8.9694 -8.7330 -8.7228 -8.6512 -8.6480 -1.2041 -1.2037 0.2035 0.2043 0.8076 0.8094 1.2506 1.2522 7.3848 7.3856 8.0182 8.0190 10.6971 10.6986 11.2174 11.2191 k = 0.2500-0.0148-0.0142 ( 1767 PWs) bands (ev): -25.3563 -25.3563 -13.6030 -13.6029 -8.9843 -8.9730 -8.7355 -8.7253 -8.6499 -8.6469 -1.2305 -1.2300 0.1907 0.1914 0.8069 0.8085 1.2728 1.2743 7.4173 7.4182 8.0797 8.0804 10.6978 10.6993 11.1820 11.1836 k = 0.2619-0.0155-0.0149 ( 1766 PWs) bands (ev): -25.3554 -25.3554 -13.6024 -13.6022 -8.9880 -8.9767 -8.7378 -8.7276 -8.6485 -8.6456 -1.2568 -1.2564 0.1787 0.1794 0.8061 0.8076 1.2942 1.2958 7.4505 7.4513 8.1410 8.1417 10.6964 10.6979 11.1480 11.1496 k = 0.2738-0.0162-0.0156 ( 1767 PWs) bands (ev): -25.3545 -25.3545 -13.6018 -13.6016 -8.9917 -8.9806 -8.7400 -8.7298 -8.6471 -8.6444 -1.2829 -1.2825 0.1676 0.1683 0.8053 0.8067 1.3149 1.3164 7.4842 7.4851 8.2017 8.2024 10.6923 10.6938 11.1162 11.1178 k = 0.2857-0.0169-0.0162 ( 1767 PWs) bands (ev): -25.3536 -25.3536 -13.6012 -13.6010 -8.9955 -8.9847 -8.7419 -8.7319 -8.6456 -8.6431 -1.3087 -1.3082 0.1573 0.1579 0.8044 0.8057 1.3349 1.3363 7.5184 7.5193 8.2615 8.2621 10.6850 10.6863 11.0876 11.0892 k = 0.2976-0.0176-0.0169 ( 1770 PWs) bands (ev): -25.3527 -25.3527 -13.6006 -13.6004 -8.9994 -8.9888 -8.7436 -8.7339 -8.6442 -8.6418 -1.3339 -1.3334 0.1477 0.1483 0.8035 0.8048 1.3539 1.3554 7.5529 7.5537 8.3199 8.3206 10.6737 10.6749 11.0630 11.0645 k = 0.3095-0.0183-0.0176 ( 1773 PWs) bands (ev): -25.3518 -25.3518 -13.6000 -13.5998 -9.0033 -8.9931 -8.7452 -8.7357 -8.6427 -8.6405 -1.3584 -1.3580 0.1389 0.1394 0.8027 0.8038 1.3722 1.3736 7.5875 7.5883 8.3767 8.3773 10.6582 10.6592 11.0430 11.0443 k = 0.3214-0.0190-0.0183 ( 1774 PWs) bands (ev): -25.3510 -25.3510 -13.5994 -13.5993 -9.0071 -8.9973 -8.7465 -8.7374 -8.6413 -8.6392 -1.3822 -1.3817 0.1307 0.1313 0.8018 0.8029 1.3895 1.3908 7.6220 7.6228 8.4315 8.4321 10.6384 10.6392 11.0277 11.0289 k = 0.3333-0.0197-0.0190 ( 1775 PWs) bands (ev): -25.3502 -25.3502 -13.5989 -13.5987 -9.0108 -9.0015 -8.7476 -8.7389 -8.6399 -8.6380 -1.4050 -1.4046 0.1233 0.1238 0.8010 0.8019 1.4059 1.4072 7.6564 7.6571 8.4839 8.4845 10.6149 10.6154 11.0169 11.0180 k = 0.3452-0.0205-0.0196 ( 1778 PWs) bands (ev): -25.3494 -25.3494 -13.5984 -13.5982 -9.0145 -9.0057 -8.7486 -8.7403 -8.6386 -8.6367 -1.4268 -1.4264 0.1164 0.1169 0.8001 0.8010 1.4213 1.4225 7.6902 7.6910 8.5337 8.5343 10.5882 10.5886 11.0101 11.0111 k = 0.3571-0.0212-0.0203 ( 1778 PWs) bands (ev): -25.3487 -25.3487 -13.5979 -13.5978 -9.0180 -9.0098 -8.7493 -8.7416 -8.6373 -8.6356 -1.4474 -1.4470 0.1102 0.1107 0.7994 0.8002 1.4357 1.4368 7.7234 7.7241 8.5806 8.5812 10.5595 10.5597 11.0066 11.0075 k = 0.3690-0.0219-0.0210 ( 1772 PWs) bands (ev): -25.3479 -25.3479 -13.5974 -13.5973 -9.0213 -9.0137 -8.7500 -8.7427 -8.6360 -8.6345 -1.4667 -1.4663 0.1046 0.1051 0.7986 0.7994 1.4491 1.4502 7.7556 7.7563 8.6244 8.6249 10.5295 10.5297 11.0057 11.0065 k = 0.3810-0.0226-0.0217 ( 1773 PWs) bands (ev): -25.3473 -25.3473 -13.5970 -13.5969 -9.0244 -9.0174 -8.7504 -8.7438 -8.6349 -8.6334 -1.4847 -1.4844 0.0996 0.1000 0.7979 0.7986 1.4614 1.4624 7.7865 7.7872 8.6647 8.6652 10.4992 10.4995 11.0065 11.0073 k = 0.3929-0.0233-0.0223 ( 1771 PWs) bands (ev): -25.3467 -25.3467 -13.5966 -13.5965 -9.0273 -9.0210 -8.7508 -8.7447 -8.6338 -8.6325 -1.5012 -1.5009 0.0950 0.0954 0.7973 0.7979 1.4726 1.4735 7.8160 7.8166 8.7015 8.7020 10.4696 10.4699 11.0087 11.0094 k = 0.4048-0.0240-0.0230 ( 1773 PWs) bands (ev): -25.3461 -25.3461 -13.5962 -13.5962 -9.0300 -9.0243 -8.7510 -8.7456 -8.6328 -8.6316 -1.5162 -1.5160 0.0911 0.0914 0.7967 0.7972 1.4827 1.4835 7.8435 7.8441 8.7346 8.7350 10.4413 10.4416 11.0116 11.0123 k = 0.4167-0.0247-0.0237 ( 1776 PWs) bands (ev): -25.3457 -25.3457 -13.5959 -13.5959 -9.0323 -9.0273 -8.7512 -8.7464 -8.6319 -8.6309 -1.5297 -1.5294 0.0876 0.0879 0.7961 0.7966 1.4917 1.4924 7.8689 7.8694 8.7638 8.7642 10.4149 10.4153 11.0149 11.0155 k = 0.4286-0.0254-0.0244 ( 1775 PWs) bands (ev): -25.3452 -25.3452 -13.5957 -13.5956 -9.0344 -9.0300 -8.7512 -8.7471 -8.6311 -8.6302 -1.5414 -1.5412 0.0846 0.0848 0.7957 0.7961 1.4995 1.5001 7.8918 7.8923 8.7892 8.7896 10.3910 10.3914 11.0183 11.0189 k = 0.4405-0.0261-0.0250 ( 1775 PWs) bands (ev): -25.3449 -25.3449 -13.5954 -13.5954 -9.0361 -9.0324 -8.7512 -8.7477 -8.6304 -8.6296 -1.5514 -1.5512 0.0821 0.0823 0.7953 0.7956 1.5061 1.5067 7.9119 7.9123 8.8107 8.8110 10.3700 10.3704 11.0216 11.0221 k = 0.4524-0.0268-0.0257 ( 1774 PWs) bands (ev): -25.3445 -25.3445 -13.5952 -13.5952 -9.0374 -9.0345 -8.7511 -8.7483 -8.6298 -8.6292 -1.5597 -1.5595 0.0801 0.0802 0.7950 0.7952 1.5116 1.5121 7.9288 7.9291 8.8282 8.8285 10.3524 10.3527 11.0245 11.0249 k = 0.4643-0.0275-0.0264 ( 1772 PWs) bands (ev): -25.3443 -25.3443 -13.5951 -13.5950 -9.0384 -9.0362 -8.7509 -8.7488 -8.6293 -8.6288 -1.5661 -1.5660 0.0785 0.0786 0.7947 0.7949 1.5159 1.5162 7.9423 7.9425 8.8418 8.8420 10.3384 10.3386 11.0269 11.0272 k = 0.4762-0.0282-0.0271 ( 1771 PWs) bands (ev): -25.3441 -25.3441 -13.5950 -13.5949 -9.0390 -9.0375 -8.7507 -8.7493 -8.6289 -8.6286 -1.5708 -1.5707 0.0774 0.0775 0.7946 0.7947 1.5190 1.5192 7.9521 7.9523 8.8515 8.8517 10.3282 10.3284 11.0288 11.0290 k = 0.4881-0.0289-0.0277 ( 1773 PWs) bands (ev): -25.3440 -25.3440 -13.5949 -13.5949 -9.0392 -9.0385 -8.7504 -8.7497 -8.6286 -8.6285 -1.5735 -1.5735 0.0767 0.0768 0.7945 0.7945 1.5209 1.5210 7.9581 7.9582 8.8573 8.8574 10.3220 10.3221 11.0299 11.0300 k = 0.5000-0.0296-0.0284 ( 1776 PWs) bands (ev): -25.3440 -25.3440 -13.5949 -13.5949 -9.0391 -9.0391 -8.7501 -8.7501 -8.6285 -8.6285 -1.5745 -1.5745 0.0765 0.0765 0.7945 0.7945 1.5215 1.5215 7.9601 7.9601 8.8593 8.8593 10.3200 10.3200 11.0303 11.0303 k = 0.5000-0.0296 0.4805 ( 1758 PWs) bands (ev): -25.3181 -25.3181 -13.4794 -13.4794 -9.1770 -9.1770 -8.9733 -8.9733 -8.6506 -8.6506 -1.6382 -1.6382 -0.0980 -0.0980 0.6732 0.6732 1.7607 1.7607 7.2997 7.2997 9.4068 9.4068 10.8796 10.8796 11.1052 11.1052 k = 0.4914-0.0291 0.4722 ( 1758 PWs) bands (ev): -25.3182 -25.3182 -13.4796 -13.4795 -9.1772 -9.1762 -8.9736 -8.9725 -8.6507 -8.6505 -1.6384 -1.6383 -0.0975 -0.0975 0.6728 0.6729 1.7610 1.7611 7.3013 7.3013 9.4058 9.4059 10.8779 10.8781 11.1064 11.1066 k = 0.4828-0.0286 0.4640 ( 1758 PWs) bands (ev): -25.3183 -25.3183 -13.4800 -13.4800 -9.1769 -9.1749 -8.9733 -8.9711 -8.6508 -8.6506 -1.6389 -1.6387 -0.0961 -0.0960 0.6720 0.6721 1.7617 1.7620 7.3059 7.3060 9.4029 9.4031 10.8732 10.8736 11.1104 11.1107 k = 0.4741-0.0281 0.4557 ( 1755 PWs) bands (ev): -25.3185 -25.3185 -13.4808 -13.4807 -9.1760 -9.1730 -8.9724 -8.9692 -8.6510 -8.6506 -1.6396 -1.6393 -0.0937 -0.0935 0.6705 0.6707 1.7630 1.7634 7.3137 7.3138 9.3982 9.3985 10.8650 10.8655 11.1175 11.1179 k = 0.4655-0.0276 0.4474 ( 1753 PWs) bands (ev): -25.3187 -25.3187 -13.4818 -13.4818 -9.1746 -9.1706 -8.9710 -8.9668 -8.6513 -8.6508 -1.6406 -1.6402 -0.0903 -0.0901 0.6685 0.6687 1.7648 1.7653 7.3246 7.3247 9.3916 9.3919 10.8529 10.8535 11.1281 11.1286 k = 0.4569-0.0271 0.4391 ( 1755 PWs) bands (ev): -25.3190 -25.3190 -13.4832 -13.4831 -9.1727 -9.1677 -8.9691 -8.9638 -8.6516 -8.6510 -1.6418 -1.6413 -0.0860 -0.0856 0.6660 0.6663 1.7670 1.7675 7.3384 7.3385 9.3830 9.3833 10.8366 10.8373 11.1427 11.1432 k = 0.4483-0.0266 0.4308 ( 1755 PWs) bands (ev): -25.3194 -25.3194 -13.4848 -13.4847 -9.1703 -9.1644 -8.9666 -8.9603 -8.6520 -8.6512 -1.6431 -1.6426 -0.0807 -0.0803 0.6630 0.6633 1.7695 1.7702 7.3551 7.3553 9.3723 9.3728 10.8160 10.8166 11.1615 11.1620 k = 0.4397-0.0260 0.4225 ( 1757 PWs) bands (ev): -25.3199 -25.3199 -13.4867 -13.4866 -9.1674 -9.1606 -8.9636 -8.9564 -8.6524 -8.6515 -1.6446 -1.6440 -0.0744 -0.0739 0.6594 0.6598 1.7723 1.7731 7.3747 7.3749 9.3595 9.3601 10.7910 10.7917 11.1845 11.1849 k = 0.4310-0.0255 0.4142 ( 1756 PWs) bands (ev): -25.3204 -25.3204 -13.4889 -13.4888 -9.1640 -9.1563 -8.9601 -8.9519 -8.6528 -8.6519 -1.6461 -1.6455 -0.0671 -0.0666 0.6555 0.6559 1.7753 1.7763 7.3970 7.3972 9.3446 9.3452 10.7619 10.7625 11.2116 11.2120 k = 0.4224-0.0250 0.4060 ( 1759 PWs) bands (ev): -25.3210 -25.3210 -13.4913 -13.4912 -9.1601 -9.1517 -8.9561 -8.9470 -8.6533 -8.6523 -1.6476 -1.6469 -0.0589 -0.0584 0.6511 0.6515 1.7784 1.7794 7.4218 7.4220 9.3274 9.3281 10.7288 10.7294 11.2427 11.2429 k = 0.4138-0.0245 0.3977 ( 1759 PWs) bands (ev): -25.3217 -25.3217 -13.4939 -13.4938 -9.1559 -9.1466 -8.9515 -8.9416 -8.6539 -8.6527 -1.6490 -1.6482 -0.0497 -0.0491 0.6463 0.6468 1.7815 1.7826 7.4490 7.4493 9.3079 9.3086 10.6922 10.6927 11.2774 11.2777 k = 0.4052-0.0240 0.3894 ( 1758 PWs) bands (ev): -25.3224 -25.3224 -13.4968 -13.4966 -9.1513 -9.1413 -8.9465 -8.9357 -8.6545 -8.6532 -1.6502 -1.6494 -0.0396 -0.0390 0.6412 0.6417 1.7844 1.7856 7.4785 7.4787 9.2859 9.2867 10.6523 10.6528 11.3155 11.3158 k = 0.3966-0.0235 0.3811 ( 1760 PWs) bands (ev): -25.3232 -25.3232 -13.4998 -13.4997 -9.1463 -9.1356 -8.9410 -8.9295 -8.6551 -8.6538 -1.6511 -1.6503 -0.0285 -0.0279 0.6358 0.6363 1.7870 1.7883 7.5099 7.5102 9.2615 9.2623 10.6096 10.6101 11.3566 11.3570 k = 0.3879-0.0230 0.3728 ( 1759 PWs) bands (ev): -25.3240 -25.3240 -13.5031 -13.5029 -9.1409 -9.1297 -8.9351 -8.9229 -8.6558 -8.6543 -1.6517 -1.6509 -0.0165 -0.0158 0.6301 0.6306 1.7892 1.7906 7.5431 7.5434 9.2344 9.2354 10.5644 10.5650 11.4003 11.4008 k = 0.3793-0.0225 0.3645 ( 1757 PWs) bands (ev): -25.3249 -25.3249 -13.5065 -13.5063 -9.1353 -9.1235 -8.9287 -8.9160 -8.6564 -8.6549 -1.6519 -1.6510 -0.0036 -0.0029 0.6243 0.6248 1.7909 1.7923 7.5778 7.5781 9.2048 9.2058 10.5174 10.5180 11.4461 11.4468 k = 0.3707-0.0220 0.3562 ( 1757 PWs) bands (ev): -25.3258 -25.3258 -13.5100 -13.5098 -9.1294 -9.1171 -8.9220 -8.9087 -8.6572 -8.6555 -1.6515 -1.6506 0.0103 0.0110 0.6183 0.6188 1.7919 1.7934 7.6135 7.6139 9.1724 9.1735 10.4689 10.4696 11.4933 11.4942 k = 0.3621-0.0215 0.3480 ( 1759 PWs) bands (ev): -25.3268 -25.3268 -13.5136 -13.5134 -9.1233 -9.1106 -8.9150 -8.9012 -8.6579 -8.6561 -1.6506 -1.6496 0.0250 0.0258 0.6121 0.6127 1.7920 1.7936 7.6501 7.6505 9.1374 9.1384 10.4195 10.4202 11.5412 11.5423 k = 0.3534-0.0209 0.3397 ( 1760 PWs) bands (ev): -25.3279 -25.3279 -13.5174 -13.5171 -9.1170 -9.1040 -8.9076 -8.8934 -8.6587 -8.6568 -1.6489 -1.6479 0.0406 0.0414 0.6060 0.6065 1.7912 1.7928 7.6869 7.6875 9.0996 9.1007 10.3698 10.3705 11.5887 11.5901 k = 0.3448-0.0204 0.3314 ( 1759 PWs) bands (ev): -25.3290 -25.3290 -13.5212 -13.5209 -9.1105 -9.0972 -8.8999 -8.8854 -8.6594 -8.6574 -1.6464 -1.6455 0.0571 0.0579 0.5998 0.6003 1.7893 1.7910 7.7237 7.7243 9.0591 9.0602 10.3204 10.3212 11.6346 11.6364 k = 0.3362-0.0199 0.3231 ( 1760 PWs) bands (ev): -25.3301 -25.3301 -13.5251 -13.5248 -9.1039 -9.0904 -8.8920 -8.8772 -8.6602 -8.6580 -1.6431 -1.6421 0.0744 0.0753 0.5936 0.5942 1.7862 1.7879 7.7597 7.7604 9.0159 9.0171 10.2720 10.2728 11.6773 11.6794 k = 0.3276-0.0194 0.3148 ( 1766 PWs) bands (ev): -25.3313 -25.3313 -13.5290 -13.5288 -9.0972 -9.0836 -8.8839 -8.8689 -8.6610 -8.6586 -1.6388 -1.6379 0.0925 0.0934 0.5875 0.5881 1.7817 1.7834 7.7945 7.7953 8.9702 8.9714 10.2253 10.2262 11.7146 11.7172 k = 0.3190-0.0189 0.3065 ( 1768 PWs) bands (ev): -25.3325 -25.3325 -13.5330 -13.5327 -9.0904 -9.0767 -8.8757 -8.8605 -8.6618 -8.6592 -1.6335 -1.6325 0.1114 0.1123 0.5815 0.5821 1.7758 1.7776 7.8274 7.8283 8.9219 8.9231 10.1812 10.1820 11.7445 11.7477 k = 0.3103-0.0184 0.2983 ( 1767 PWs) bands (ev): -25.3338 -25.3338 -13.5369 -13.5367 -9.0836 -9.0698 -8.8673 -8.8521 -8.6626 -8.6597 -1.6270 -1.6261 0.1310 0.1319 0.5757 0.5763 1.7683 1.7701 7.8577 7.8587 8.8713 8.8725 10.1404 10.1412 11.7647 11.7685 k = 0.3017-0.0179 0.2900 ( 1770 PWs) bands (ev): -25.3351 -25.3351 -13.5409 -13.5406 -9.0767 -9.0630 -8.8588 -8.8436 -8.6634 -8.6602 -1.6194 -1.6186 0.1514 0.1523 0.5701 0.5707 1.7592 1.7610 7.8846 7.8857 8.8184 8.8196 10.1038 10.1046 11.7739 11.7782 k = 0.2931-0.0174 0.2817 ( 1773 PWs) bands (ev): -25.3364 -25.3364 -13.5448 -13.5445 -9.0699 -9.0562 -8.8503 -8.8352 -8.6642 -8.6606 -1.6106 -1.6098 0.1724 0.1733 0.5647 0.5653 1.7483 1.7501 7.9075 7.9087 8.7634 8.7647 10.0722 10.0731 11.7718 11.7766 k = 0.2845-0.0169 0.2734 ( 1773 PWs) bands (ev): -25.3377 -25.3377 -13.5487 -13.5484 -9.0631 -9.0495 -8.8418 -8.8268 -8.6649 -8.6610 -1.6005 -1.5997 0.1940 0.1950 0.5596 0.5602 1.7357 1.7375 7.9255 7.9268 8.7066 8.7079 10.0466 10.0475 11.7596 11.7647 k = 0.2759-0.0163 0.2651 ( 1770 PWs) bands (ev): -25.3390 -25.3390 -13.5525 -13.5522 -9.0563 -9.0429 -8.8334 -8.8185 -8.6657 -8.6613 -1.5890 -1.5883 0.2163 0.2173 0.5547 0.5554 1.7212 1.7230 7.9380 7.9395 8.6481 8.6494 10.0275 10.0284 11.7396 11.7447 k = 0.2672-0.0158 0.2568 ( 1771 PWs) bands (ev): -25.3403 -25.3403 -13.5563 -13.5560 -9.0496 -9.0364 -8.8250 -8.8103 -8.6663 -8.6616 -1.5762 -1.5755 0.2390 0.2400 0.5502 0.5510 1.7048 1.7066 7.9445 7.9461 8.5881 8.5894 10.0157 10.0166 11.7138 11.7189 k = 0.2586-0.0153 0.2485 ( 1771 PWs) bands (ev): -25.3417 -25.3417 -13.5599 -13.5597 -9.0430 -9.0300 -8.8168 -8.8023 -8.6670 -8.6618 -1.5620 -1.5614 0.2623 0.2633 0.5461 0.5469 1.6865 1.6883 7.9447 7.9464 8.5269 8.5282 10.0115 10.0125 11.6843 11.6892 k = 0.2500-0.0148 0.2403 ( 1770 PWs) bands (ev): -25.3431 -25.3431 -13.5635 -13.5632 -9.0366 -9.0238 -8.8087 -8.7945 -8.6675 -8.6619 -1.5465 -1.5458 0.2859 0.2870 0.5423 0.5432 1.6663 1.6680 7.9383 7.9401 8.4647 8.4660 10.0151 10.0161 11.6526 11.6572 k = 0.2414-0.0143 0.2320 ( 1772 PWs) bands (ev): -25.3444 -25.3444 -13.5670 -13.5667 -9.0303 -9.0178 -8.8008 -8.7869 -8.6680 -8.6619 -1.5295 -1.5289 0.3099 0.3110 0.5390 0.5399 1.6441 1.6459 7.9254 7.9273 8.4018 8.4031 10.0265 10.0275 11.6199 11.6242 k = 0.2328-0.0138 0.2237 ( 1775 PWs) bands (ev): -25.3458 -25.3458 -13.5703 -13.5701 -9.0242 -9.0120 -8.7931 -8.7796 -8.6684 -8.6618 -1.5111 -1.5105 0.3341 0.3353 0.5360 0.5371 1.6200 1.6218 7.9063 7.9083 8.3383 8.3397 10.0453 10.0464 11.5869 11.5908 k = 0.2241-0.0133 0.2154 ( 1775 PWs) bands (ev): -25.3472 -25.3472 -13.5736 -13.5733 -9.0183 -9.0063 -8.7857 -8.7726 -8.6688 -8.6617 -1.4912 -1.4908 0.3584 0.3598 0.5335 0.5349 1.5941 1.5958 7.8814 7.8834 8.2747 8.2760 10.0710 10.0721 11.5541 11.5577 k = 0.2155-0.0128 0.2071 ( 1773 PWs) bands (ev): -25.3485 -25.3485 -13.5767 -13.5764 -9.0125 -9.0009 -8.7785 -8.7658 -8.6690 -8.6614 -1.4701 -1.4696 0.3827 0.3843 0.5316 0.5332 1.5664 1.5681 7.8512 7.8533 8.2111 8.2124 10.1028 10.1039 11.5220 11.5254 k = 0.2069-0.0123 0.1988 ( 1780 PWs) bands (ev): -25.3499 -25.3499 -13.5797 -13.5794 -9.0070 -8.9957 -8.7716 -8.7593 -8.6692 -8.6611 -1.4476 -1.4472 0.4068 0.4088 0.5302 0.5322 1.5370 1.5386 7.8165 7.8186 8.1479 8.1492 10.1399 10.1411 11.4911 11.4941 k = 0.1983-0.0117 0.1906 ( 1780 PWs) bands (ev): -25.3512 -25.3512 -13.5825 -13.5823 -9.0018 -8.9907 -8.7650 -8.7531 -8.6692 -8.6608 -1.4237 -1.4234 0.4304 0.4329 0.5295 0.5322 1.5059 1.5075 7.7779 7.7799 8.0854 8.0866 10.1813 10.1825 11.4615 11.4643 k = 0.1897-0.0112 0.1823 ( 1778 PWs) bands (ev): -25.3525 -25.3525 -13.5853 -13.5850 -8.9967 -8.9860 -8.7587 -8.7473 -8.6691 -8.6603 -1.3987 -1.3984 0.4530 0.4564 0.5299 0.5335 1.4733 1.4748 7.7360 7.7380 8.0238 8.0249 10.2260 10.2273 11.4337 11.4362 k = 0.1810-0.0107 0.1740 ( 1779 PWs) bands (ev): -25.3537 -25.3537 -13.5878 -13.5876 -8.9919 -8.9815 -8.7527 -8.7418 -8.6689 -8.6598 -1.3725 -1.3723 0.4735 0.4782 0.5321 0.5371 1.4392 1.4408 7.6917 7.6936 7.9634 7.9644 10.2729 10.2741 11.4081 11.4103 k = 0.1724-0.0102 0.1657 ( 1778 PWs) bands (ev): -25.3550 -25.3550 -13.5903 -13.5900 -8.9874 -8.9773 -8.7470 -8.7366 -8.6686 -8.6592 -1.3452 -1.3450 0.4903 0.4964 0.5381 0.5447 1.4039 1.4054 7.6454 7.6472 7.9045 7.9055 10.3207 10.3220 11.3851 11.3871 k = 0.1638-0.0097 0.1574 ( 1779 PWs) bands (ev): -25.3562 -25.3562 -13.5925 -13.5923 -8.9831 -8.9733 -8.7417 -8.7318 -8.6681 -8.6586 -1.3170 -1.3169 0.5017 0.5081 0.5507 0.5576 1.3674 1.3689 7.5977 7.5994 7.8473 7.8482 10.3683 10.3696 11.3651 11.3669 k = 0.1552-0.0092 0.1491 ( 1778 PWs) bands (ev): -25.3573 -25.3573 -13.5947 -13.5945 -8.9791 -8.9697 -8.7366 -8.7274 -8.6675 -8.6579 -1.2880 -1.2878 0.5085 0.5140 0.5690 0.5750 1.3300 1.3315 7.5493 7.5509 7.7922 7.7930 10.4146 10.4159 11.3488 11.3503 k = 0.1466-0.0087 0.1408 ( 1780 PWs) bands (ev): -25.3585 -25.3585 -13.5967 -13.5965 -8.9754 -8.9662 -8.7320 -8.7233 -8.6667 -8.6572 -1.2582 -1.2581 0.5128 0.5174 0.5896 0.5948 1.2918 1.2933 7.5006 7.5021 7.7392 7.7399 10.4583 10.4595 11.3367 11.3379 k = 0.1379-0.0082 0.1326 ( 1781 PWs) bands (ev): -25.3596 -25.3596 -13.5986 -13.5984 -8.9719 -8.9631 -8.7276 -8.7196 -8.6659 -8.6564 -1.2280 -1.2278 0.5160 0.5199 0.6108 0.6154 1.2530 1.2545 7.4522 7.4535 7.6886 7.6893 10.4982 10.4994 11.3294 11.3303 k = 0.1293-0.0077 0.1243 ( 1778 PWs) bands (ev): -25.3606 -25.3606 -13.6003 -13.6001 -8.9686 -8.9602 -8.7236 -8.7161 -8.6649 -8.6557 -1.1973 -1.1972 0.5189 0.5223 0.6318 0.6360 1.2139 1.2155 7.4044 7.4056 7.6405 7.6411 10.5334 10.5346 11.3272 11.3280 k = 0.1207-0.0072 0.1160 ( 1777 PWs) bands (ev): -25.3616 -25.3616 -13.6019 -13.6017 -8.9656 -8.9576 -8.7199 -8.7131 -8.6638 -8.6549 -1.1665 -1.1663 0.5216 0.5248 0.6521 0.6561 1.1748 1.1764 7.3578 7.3589 7.5950 7.5956 10.5631 10.5644 11.3305 11.3310 k = 0.1121-0.0066 0.1077 ( 1775 PWs) bands (ev): -25.3625 -25.3625 -13.6033 -13.6032 -8.9629 -8.9552 -8.7165 -8.7103 -8.6626 -8.6542 -1.1358 -1.1356 0.5245 0.5274 0.6714 0.6753 1.1359 1.1375 7.3127 7.3136 7.5523 7.5529 10.5871 10.5882 11.3391 11.3394 k = 0.1034-0.0061 0.0994 ( 1773 PWs) bands (ev): -25.3633 -25.3633 -13.6047 -13.6045 -8.9603 -8.9531 -8.7134 -8.7078 -8.6614 -8.6534 -1.1053 -1.1052 0.5277 0.5304 0.6896 0.6935 1.0975 1.0993 7.2695 7.2703 7.5125 7.5130 10.6052 10.6063 11.3524 11.3526 k = 0.0948-0.0056 0.0911 ( 1775 PWs) bands (ev): -25.3642 -25.3642 -13.6059 -13.6057 -8.9580 -8.9512 -8.7106 -8.7056 -8.6601 -8.6527 -1.0755 -1.0753 0.5311 0.5337 0.7063 0.7103 1.0601 1.0620 7.2284 7.2292 7.4755 7.4760 10.6179 10.6190 11.3695 11.3698 k = 0.0862-0.0051 0.0828 ( 1774 PWs) bands (ev): -25.3649 -25.3649 -13.6070 -13.6068 -8.9559 -8.9496 -8.7081 -8.7037 -8.6588 -8.6521 -1.0465 -1.0463 0.5349 0.5374 0.7213 0.7254 1.0241 1.0262 7.1900 7.1906 7.4415 7.4420 10.6260 10.6270 11.3894 11.3897 k = 0.0776-0.0046 0.0746 ( 1773 PWs) bands (ev): -25.3656 -25.3656 -13.6079 -13.6078 -8.9540 -8.9482 -8.7058 -8.7020 -8.6576 -8.6515 -1.0187 -1.0186 0.5391 0.5416 0.7343 0.7386 0.9900 0.9923 7.1543 7.1549 7.4106 7.4110 10.6303 10.6312 11.4107 11.4112 k = 0.0690-0.0041 0.0663 ( 1774 PWs) bands (ev): -25.3662 -25.3662 -13.6088 -13.6087 -8.9522 -8.9470 -8.7039 -8.7006 -8.6563 -8.6509 -0.9925 -0.9923 0.5438 0.5461 0.7447 0.7492 0.9586 0.9612 7.1218 7.1223 7.3828 7.3831 10.6317 10.6326 11.4324 11.4330 k = 0.0603-0.0036 0.0580 ( 1775 PWs) bands (ev): -25.3668 -25.3668 -13.6095 -13.6094 -8.9507 -8.9461 -8.7021 -8.6993 -8.6552 -8.6504 -0.9681 -0.9680 0.5488 0.5511 0.7519 0.7568 0.9308 0.9337 7.0925 7.0929 7.3581 7.3584 10.6312 10.6319 11.4533 11.4539 k = 0.0517-0.0031 0.0497 ( 1775 PWs) bands (ev): -25.3673 -25.3673 -13.6102 -13.6101 -8.9493 -8.9453 -8.7007 -8.6983 -8.6541 -8.6500 -0.9460 -0.9459 0.5543 0.5565 0.7553 0.7603 0.9077 0.9109 7.0667 7.0671 7.3367 7.3369 10.6293 10.6300 11.4726 11.4732 k = 0.0431-0.0026 0.0414 ( 1775 PWs) bands (ev): -25.3677 -25.3677 -13.6107 -13.6107 -8.9481 -8.9447 -8.6994 -8.6975 -8.6531 -8.6497 -0.9266 -0.9264 0.5601 0.5622 0.7543 0.7593 0.8904 0.8936 7.0447 7.0450 7.3184 7.3187 10.6269 10.6274 11.4896 11.4901 k = 0.0345-0.0020 0.0331 ( 1779 PWs) bands (ev): -25.3680 -25.3680 -13.6112 -13.6111 -8.9471 -8.9443 -8.6984 -8.6968 -8.6522 -8.6495 -0.9101 -0.9100 0.5661 0.5680 0.7493 0.7538 0.8792 0.8820 7.0264 7.0266 7.3035 7.3037 10.6242 10.6247 11.5038 11.5043 k = 0.0259-0.0015 0.0249 ( 1784 PWs) bands (ev): -25.3683 -25.3683 -13.6115 -13.6115 -8.9462 -8.9441 -8.6975 -8.6964 -8.6514 -8.6494 -0.8969 -0.8968 0.5718 0.5735 0.7419 0.7455 0.8730 0.8752 7.0121 7.0123 7.2918 7.2919 10.6218 10.6221 11.5150 11.5154 k = 0.0172-0.0010 0.0166 ( 1781 PWs) bands (ev): -25.3685 -25.3685 -13.6117 -13.6117 -8.9455 -8.9441 -8.6969 -8.6961 -8.6508 -8.6494 -0.8872 -0.8871 0.5769 0.5781 0.7344 0.7369 0.8702 0.8716 7.0018 7.0019 7.2835 7.2836 10.6199 10.6201 11.5231 11.5234 k = 0.0086-0.0005 0.0083 ( 1782 PWs) bands (ev): -25.3686 -25.3686 -13.6119 -13.6119 -8.9449 -8.9442 -8.6964 -8.6961 -8.6502 -8.6496 -0.8813 -0.8813 0.5805 0.5812 0.7291 0.7304 0.8692 0.8699 6.9956 6.9957 7.2785 7.2785 10.6187 10.6188 11.5280 11.5282 k = 0.0000 0.0000 0.0000 ( 1779 PWs) bands (ev): -25.3686 -25.3686 -13.6119 -13.6119 -8.9445 -8.9445 -8.6961 -8.6961 -8.6498 -8.6498 -0.8793 -0.8793 0.5821 0.5821 0.7276 0.7276 0.8692 0.8692 6.9936 6.9936 7.2768 7.2768 10.6183 10.6183 11.5297 11.5297 Writing output data file KCN.save init_run : 3.02s CPU 12.07s WALL ( 1 calls) electrons : 170.47s CPU 174.86s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.24s CPU 1.38s WALL ( 1 calls) Called by electrons: c_bands : 170.45s CPU 174.35s WALL ( 1 calls) v_of_rho : 0.05s CPU 0.84s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.05s CPU 0.54s WALL ( 1 calls) newd : 0.21s CPU 0.38s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.17s WALL ( 390 calls) cegterg : 140.18s CPU 140.95s WALL ( 796 calls) Called by sum_band: Called by *egterg: h_psi : 61.26s CPU 67.11s WALL ( 13479 calls) s_psi : 4.39s CPU 5.19s WALL ( 13479 calls) g_psi : 0.08s CPU 0.17s WALL ( 12293 calls) cdiaghg : 52.88s CPU 49.94s WALL ( 12683 calls) cegterg:over : 12.59s CPU 10.33s WALL ( 12293 calls) cegterg:upda : 0.45s CPU 1.77s WALL ( 12293 calls) cegterg:last : 0.52s CPU 1.16s WALL ( 1966 calls) Called by h_psi: h_psi:vloc : 50.04s CPU 55.77s WALL ( 13479 calls) h_psi:vnl : 11.18s CPU 11.10s WALL ( 13479 calls) add_vuspsi : 1.73s CPU 3.76s WALL ( 13479 calls) General routines calbec : 9.43s CPU 7.27s WALL ( 13479 calls) fft : 1.03s CPU 1.75s WALL ( 19 calls) ffts : 0.00s CPU 0.03s WALL ( 4 calls) fftw : 48.07s CPU 52.82s WALL ( 647320 calls) interpolate : 0.11s CPU 0.14s WALL ( 4 calls) davcio : 0.04s CPU 1.40s WALL ( 780 calls) Parallel routines fft_scatter : 40.36s CPU 43.12s WALL ( 647343 calls) PWSCF : 3m31.20s CPU 4m42.78s WALL This run was terminated on: 13:23:15 7Oct2015 =------------------------------------------------------------------------------= JOB DONE. 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